ArrePath
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dgl-lifesci
dgl-lifesci PublicForked from awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
Python
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mol2vec
mol2vec PublicForked from samoturk/mol2vec
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Python
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rd_filters
rd_filters PublicForked from PatWalters/rd_filters
A script to run structural alerts using the RDKit and ChEMBL
Python
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razi
razi PublicForked from rvianello/razi
A cheminformatics extension for the SQLAlchemy database toolkit.
Python
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pyclickup
pyclickup PublicForked from jpetrucciani/pyclickup
a python library for accessing the ClickUp api
Python
Repositories
- scikit-fingerprints Public Forked from MLCIL/scikit-fingerprints
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
ArrePath/scikit-fingerprints’s past year of commit activity - DiffSBDD Public Forked from arneschneuing/DiffSBDD
A Euclidean diffusion model for structure-based drug design.
ArrePath/DiffSBDD’s past year of commit activity - razi Public Forked from rvianello/razi
A cheminformatics extension for the SQLAlchemy database toolkit.
ArrePath/razi’s past year of commit activity - pkasolver Public Forked from mayrf/pkasolver
toolkit for prediction pKa values of small molecules via graph convolutional networks
ArrePath/pkasolver’s past year of commit activity - dgl-lifesci Public Forked from awslabs/dgl-lifesci
Python package for graph neural networks in chemistry and biology
ArrePath/dgl-lifesci’s past year of commit activity - rd_filters Public Forked from PatWalters/rd_filters
A script to run structural alerts using the RDKit and ChEMBL
ArrePath/rd_filters’s past year of commit activity
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