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making-it-rain
making-it-rain PublicForked from pablo-arantes/making-it-rain
Cloud-based molecular simulations for everyone
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chembl_webresource_client
chembl_webresource_client PublicForked from chembl/chembl_webresource_client
Official Python client for accessing ChEMBL API.
Python
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gmx_MMPBSA
gmx_MMPBSA PublicForked from Valdes-Tresanco-MS/gmx_MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
Python
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crest
crest PublicForked from crest-lab/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Fortran
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drugbank
drugbank PublicForked from dhimmel/drugbank
User-friendly extensions of the DrugBank database
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