smiles topic
List
smiles repositories
ChemicalIdentifiers.jl
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chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
smi2sdf3d
19
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3D diverse conformers generation using rdkit
SLICES
36
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SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)
DTUsimMI-Hoymiles
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7
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Hoylmoly DTU for Hoymiles MI and TSUN microinverter
chemistry_drawer
33
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Draw molecules with plotly!
IUPAC_SMILES_plus
32
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9
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IUPAC SMILES+ Specification
Molecular_VAE_Pytorch
24
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9
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PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
paccmann_datasets
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pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
FASMIFRA
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8
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Molecular Generation by Fast Assembly of SMILES Fragments