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Search results for ocaml chemoinformatics
chemoinformatics
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ocaml
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5 search results found
Molenc
⭐
17
MolEnc: a molecular encoder using rdkit and OCaml.
Acpc
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16
Chemoinformatics tool for ligand-based virtual screening
Hts_shrink
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7
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
Consent
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7
ligand-based virtual screening with consensus queries
Rankers
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6
Reference implementation of the Vanishing Ranking Kernels (VRK) method
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