Tutorial entries are curated for researchers who want reproducible learning paths and high-quality technical references.
102 approved tutorial entries are available for search indexing and community discovery.
ACS safety resources for chemical education, laboratory planning, hazard awareness, and safe practices. Tutorial type: safety guide. Primary category: Research safety. Recommended level: graduate research.
Authoritative ACS guide for scientific writing, citations, figures, nomenclature, and publication standards. Tutorial type: writing guide. Primary category: Research practice and writing. Recommended level: graduate research.
Official AMBER and AmberTools tutorials for biomolecular MD, free energy, setup, and analysis. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Scripps AutoDock Suite resource hub for docking tools, tutorials, and virtual-screening workflows. Tutorial type: official software tutorial. Primary category: Docking and structural biology. Recommended level: graduate research.
Documentation for AutoDock Vina docking setup, scoring, search boxes, and protein-ligand workflows. Tutorial type: official software tutorial. Primary category: Docking and structural biology. Recommended level: graduate research.
Documentation for building molecules, preparing computational inputs, and visualizing molecular structures with Avogadro. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommen...
Graduate-level synthesis problem sets and heterocycle resources from a leading synthetic chemistry group. Tutorial type: problem collection. Primary category: Organic synthesis and lab skills. Recommended level: graduate research.
Bruker TopSpin resources for NMR acquisition, processing, and instrument-connected workflows. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
NOAA chemical hazard and reactivity database for incompatibilities, emergency response, and safety planning. Tutorial type: hazard reference. Primary category: Research safety. Recommended level: graduate research.
Mercury learning resource for crystal visualization, packing, intermolecular interactions, and CSD-based analysis. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate re...
CCP4 tutorial collection for macromolecular crystallography, phasing, refinement, validation, and data processing. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate re...
Training materials for preparing biomolecular simulations, membranes, ligands, and CHARMM-GUI workflows. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Official CP2K exercises for DFT, molecular dynamics, QM/MM, and periodic-system simulations. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Practical CP2K how-to tutorials for common setup and simulation tasks. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
CREST documentation for conformer searches, ensemble generation, and xTB-based workflows. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Interactive 3D chemistry resource for mechanisms, orbitals, symmetry, and molecular structure. Tutorial type: interactive tutorial collection. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
Large open textbook library for general, organic, physical, analytical, inorganic, and biological chemistry. Tutorial type: open textbook collection. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate re...
Tutorials and documentation for message-passing neural networks for molecular property prediction. Tutorial type: software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Official UCSF ChimeraX tutorials for molecular visualization, maps, structures, and analysis workflows. Tutorial type: official software tutorial. Primary category: Docking and structural biology. Recommended level: graduate research.
Coot training resources for interactive model building in crystallographic and cryo-EM density maps. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate research.
DeepChem tutorial collection for molecular featurization, datasets, graph neural networks, and drug-discovery ML. Tutorial type: official software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: graduate re...
FullProf resources for Rietveld refinement, powder diffraction, magnetic structures, and crystallographic analysis. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate r...
GNPS documentation for molecular networking, spectral libraries, and community metabolomics workflows. Tutorial type: tutorial collection. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Official interactive GROMACS tutorials for MD basics, membranes, free energy, and advanced simulation workflows. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate re...
GSAS-II tutorials for powder diffraction, Rietveld refinement, phase analysis, and crystallographic modeling. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate researc...
Gaussian learning resources for molecular quantum chemistry calculations and output interpretation. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate re...
Documentation and examples for thermochemistry corrections and free-energy post-processing. Tutorial type: software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Bonvin lab HADDOCK training materials for biomolecular docking and integrative modeling. Tutorial type: tutorial collection. Primary category: Docking and structural biology. Recommended level: graduate research.
Foundation-model course useful for chemistry students building molecule-language, protein, or generative AI workflows. Tutorial type: course. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Classic practical GROMACS tutorials widely used by new MD researchers. Tutorial type: tutorial collection. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Concise video and problem-based organic chemistry refresher for students rebuilding fundamentals. Tutorial type: tutorial collection. Primary category: Core chemistry courses. Recommended level: undergraduate refresher.
User guide for MDAnalysis trajectory analysis, atom selections, transformations, and Python workflows. Tutorial type: software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Documentation and examples for fast molecular dynamics trajectory analysis in Python. Tutorial type: software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Full MIT organic chemistry course materials for structure, bonding, reactivity, and mechanism foundations. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
Continuation of MIT organic chemistry with deeper reaction chemistry and synthesis foundations. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
MIT physical chemistry course resource for quantum mechanics and molecular-level chemical reasoning. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: graduate refresher.
Broad chemistry foundations covering atomic structure, bonding, thermodynamics, equilibrium, and reactivity. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: undergraduate refresher.
Physical chemistry course materials for thermodynamics, kinetics, reaction rates, and equilibrium. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: graduate refresher.
MIT's open chemistry course collection, useful as a trusted entry point for graduate students refreshing fundamentals or filling background gaps. Tutorial type: course collection. Primary category: Core chemistry courses. Recommended level...
MS-DIAL documentation and tutorials for metabolomics, lipidomics, GC-MS, and LC-MS data processing. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Documentation for LC-MS/MS feature detection, alignment, visualization, and metabolomics workflows. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Mestrelab learning resources for NMR and MS processing, assignment, reporting, and interpretation. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
MetaboAnalyst tutorials for metabolomics statistics, pathway analysis, biomarker analysis, and data interpretation. Tutorial type: tutorial collection. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate re...
Molecular Sciences Software Institute training hub for computational molecular science and research software skills. Tutorial type: tutorial collection. Primary category: Computational chemistry and research computing. Recommended level: g...
Python programming lesson using computational molecular science examples and practical data handling. Tutorial type: hands-on lesson. Primary category: Computational chemistry and research computing. Recommended level: beginner to graduate...
Training on packaging, testing, documentation, and maintainable scientific software for molecular scientists. Tutorial type: hands-on lesson. Primary category: Computational chemistry and research computing. Recommended level: graduate res...
Benchmark and dataset hub useful for learning molecular property prediction and comparing molecular ML models. Tutorial type: benchmark tutorial resource. Primary category: Cheminformatics and molecular ML. Recommended level: graduate rese...
Comprehensive wavefunction-analysis manual for electron density, orbitals, bonding, and quantum-chemistry interpretation. Tutorial type: manual. Primary category: Computational chemistry and research computing. Recommended level: graduate...
NAMD training tutorials for molecular dynamics simulations and biomolecular modeling. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Authoritative occupational exposure and hazard reference for chemicals encountered in research labs. Tutorial type: hazard reference. Primary category: Research safety. Recommended level: graduate research.
Classic NMRPipe training and documentation for multidimensional NMR processing and analysis. Tutorial type: software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Open NMR database and prediction resource useful for learning NMR assignment and structure verification. Tutorial type: database tutorial resource. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate resear...
Large Indian national open-course collection with many chemistry and computational chemistry lectures. Tutorial type: course collection. Primary category: Core chemistry courses. Recommended level: graduate refresher.
YouTube archive for NPTEL lectures, including chemistry, materials, computational chemistry, and spectroscopy topics. Tutorial type: YouTube channel. Primary category: Core chemistry courses. Recommended level: graduate refresher.
Well-known chemistry video channel focused on synthesis, purification, experimental design, and chemical demonstrations. Tutorial type: YouTube channel. Primary category: Organic synthesis and lab skills. Recommended level: general to grad...
Practical organic chemistry laboratory advice on purification, setup, troubleshooting, and experimental habits. Tutorial type: lab tutorial collection. Primary category: Organic synthesis and lab skills. Recommended level: graduate researc...
Official ORCA manual for methods, input syntax, output interpretation, and computational chemistry workflows. Tutorial type: manual. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Official ORCA tutorials for DFT, spectroscopy, thermochemistry, transition states, and electronic-structure workflows. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended...
Olex2 documentation for small-molecule crystal structure solution, refinement, and reporting. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate research.
Open Babel documentation for file conversion, molecular formats, SMARTS, fingerprints, and command-line workflows. Tutorial type: official software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: graduate r...
Practical OpenMM recipes for common simulation tasks, custom forces, and Python workflows. Tutorial type: recipe collection. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Official OpenMM guide for running, customizing, and analyzing molecular simulations with Python. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
OpenMS documentation and tutorials for mass spectrometry, proteomics, metabolomics, and pipeline workflows. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate res...
Frequently used portal for named reactions, recent methods, and synthesis references. Tutorial type: reference and tutorial collection. Primary category: Organic synthesis and lab skills. Recommended level: graduate research.
Authoritative peer-checked synthetic procedure archive used by practicing synthetic chemists. Tutorial type: procedure collection. Primary category: Organic synthesis and lab skills. Recommended level: graduate research.
Practical LaTeX tutorials for writing theses, manuscripts, equations, figures, and bibliographies. Tutorial type: writing and tooling tutorial. Primary category: Research practice and writing. Recommended level: graduate research.
Community PLUMED tutorials for enhanced sampling, free-energy methods, collective variables, and MD analysis. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate resea...
Famous chemistry YouTube channel from University of Nottingham scientists covering elements and chemical phenomena. Tutorial type: YouTube channel. Primary category: Core chemistry courses. Recommended level: general to graduate enrichment.
Phenix tutorials for crystallographic refinement, validation, cryo-EM maps, and model building. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate research.
Applied cheminformatics tutorials and examples from an experienced medicinal chemistry data scientist. Tutorial type: blog tutorial collection. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Documentation for ProteoWizard and msConvert, widely used for mass-spectrometry file conversion. Tutorial type: software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
National Academies laboratory safety book used as a serious reference for chemical hygiene and lab operations. Tutorial type: safety book. Primary category: Research safety. Recommended level: graduate research.
Psi4 tutorial materials for open-source quantum chemistry, Python automation, and electronic-structure calculations. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended l...
Educational implementation of quantum chemistry algorithms in Python and NumPy. Tutorial type: code tutorial collection. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Large community knowledge base for PyMOL commands, molecular visualization, scripts, and structural figures. Tutorial type: community tutorial collection. Primary category: Docking and structural biology. Recommended level: graduate resear...
Tutorials for graph neural networks commonly used in molecular graph learning and property prediction. Tutorial type: software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Official Quantum ESPRESSO tutorials for plane-wave DFT, electronic structure, phonons, and periodic systems. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: gr...
Educational RCSB resource for macromolecular structures, PDB data, structure-function relationships, and teaching materials. Tutorial type: tutorial collection. Primary category: Docking and structural biology. Recommended level: undergrad...
Practical RDKit recipes for common cheminformatics tasks and workflow patterns. Tutorial type: recipe collection. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Canonical RDKit Python tutorial for molecules, SMILES, files, descriptors, fingerprints, and cheminformatics workflows. Tutorial type: official software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: gradu...
Advanced RDKit user group notebooks and examples from the RDKit community. Tutorial type: workshop materials. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
RosettaCommons demos and tutorials for protein design, docking, ligand modeling, and macromolecular workflows. Tutorial type: official software tutorial. Primary category: Docking and structural biology. Recommended level: graduate researc...
Japanese spectral database used for learning and checking NMR, IR, MS, Raman, and ESR spectra. Tutorial type: reference and training resource. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
SHELX resources for small-molecule crystallographic structure solution and refinement. Tutorial type: official software tutorial. Primary category: Crystallography and diffraction. Recommended level: graduate research.
SIRIUS documentation for formula prediction, CSI:FingerID, CANOPUS, and MS/MS compound annotation. Tutorial type: official software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Core machine-learning tutorial set for baseline models, validation, preprocessing, and interpretable workflows. Tutorial type: software tutorial. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Core research computing lessons covering Unix shell, Git, Python, R, and reproducible workflows. Tutorial type: tutorial collection. Primary category: Research practice and writing. Recommended level: graduate research.
Open computer-aided drug discovery teaching platform using Python notebooks and real drug-discovery workflows. Tutorial type: tutorial collection. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Community lesson incubator with research-computing lessons useful for chemistry graduate workflows. Tutorial type: tutorial collection. Primary category: Research practice and writing. Recommended level: graduate research.
Tutorials for TDC datasets, benchmarks, oracles, ADMET prediction, and therapeutic ML tasks. Tutorial type: tutorial collection. Primary category: Cheminformatics and molecular ML. Recommended level: graduate research.
Large open lecture library covering general, organic, physical, and inorganic chemistry courses. Tutorial type: course collection. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
Video lecture channel for UCI OpenChem courses, useful for structured review and self-study. Tutorial type: YouTube channel. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
VASP tutorial collection for DFT calculations, convergence, electronic structure, surfaces, and materials chemistry. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended l...
VMD tutorials for molecular visualization, trajectory analysis, and biomolecular simulation workflows. Tutorial type: official software tutorial. Primary category: Molecular dynamics and simulation. Recommended level: graduate research.
Interactive spectroscopy problems and training for NMR, IR, and MS interpretation. Tutorial type: interactive tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: undergraduate to graduate refresher.
Well-known Yale open course emphasizing organic structure, mechanism, and chemical reasoning. Tutorial type: course. Primary category: Core chemistry courses. Recommended level: undergraduate to graduate refresher.
Reference-management documentation for collecting papers, organizing citations, and writing with bibliographies. Tutorial type: reference management tutorial. Primary category: Research practice and writing. Recommended level: graduate res...
Tutorial for parsing quantum chemistry output files and extracting results with Python. Tutorial type: software tutorial. Primary category: Computational chemistry and research computing. Recommended level: graduate research.
Python documentation for reading, writing, and processing NMR data formats and spectra. Tutorial type: software tutorial. Primary category: Spectroscopy and analytical chemistry. Recommended level: graduate research.
Documentation and tutorials for xTB tight-binding calculations, molecular properties, and fast workflows. Tutorial type: official software tutorial. Primary category: Computational chemistry and research computing. Recommended level: gradu...
This is the first lecture in a series covering the foundational theory of Density Functional Theory (DFT). It sets the stage for the subsequent lectures in the course.
This video discusses the challenges and approaches in materials inverse design, focusing on the use of constrained generative AI to discover new compounds with targeted structural and functional properties. The vast search space and strong...