ChemistryAtlas Code

BioPandas/biopandas

Chemistry software and utilitiesGitHubsource codebioinformaticscomputational-biologydrug-discoverymol2molecular-structuresmoleculemoleculespandas-dataframepdb

Visit resource Open in ChemistryAtlas Back to code resources

Working with molecular structures in pandas DataFrames

Why it is useful: Chemistry software and utilities repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 752 stars, 118 forks, primary language: Python.
Homepage: https://BioPandas.github.io/biopandas/

Citation: GitHub repository: BioPandas/biopandas

TypeCode

DomainChemistry software and utilities

LicenseBSD-3-Clause

ContributorsBioPandas