smiles topic

chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

longemen3000

3D diverse conformers generation using rdkit

UnixJunkie

SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)

xiaohang007

Hoylmoly DTU for Hoymiles MI and TSUN microinverter

Ziyatoe

Draw molecules with plotly!

dylanwal

IUPAC SMILES+ Specification

IUPAC

PyTorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

Ishan-Kumar2

pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

PaccMann

Molecular Generation by Fast Assembly of SMILES Fragments

UnixJunkie

Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.

MoleculeTransformers