Find open-source science resources
A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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8 of 7,064 resources
A benchmark for ML-guided high-throughput materials discovery.
Convert AMBER forcefields from ANTECHAMBER to GROMACS format.
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools.
Neural Network Force Field based on PyTorch.
A package for creating fast and accurate interatomic potentials.
Tool to build force field input files for molecular simulation.
A Package For Training SNAP Interatomic Potentials for use in the LAMMPS molecular dynamics package.
A Chemical Knowledge Graph and Toolkit, writting in IUPAC/SMILES/SMARTS, for common small molecules from diverse communities to aid users in selecting compounds for forcefield parametirization.