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chemoinformatics
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rdkit
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8 search results found
Py4chemoinformatics
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147
Python for chemoinformatics
Py4chemoinformatics
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53
Python for chemoinformatics
Psikit
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37
psi4+RDKit
Chembience
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33
A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
Paccmann_datasets
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24
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
Molenc
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17
MolEnc: a molecular encoder using rdkit and OCaml.
Smi2sdf3d
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15
3D diverse conformers generation using rdkit
Pidginv3
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15
Protein target prediction using random forests and reliability-density neighbourhood analysis
1-8 of 8 search results
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