PyRank

Smiles Strings Python Packages

Python packages with the GitHub topic smiles-strings. Sorted by relevance, with stars and monthly downloads.
pckroon
pysmiles

A lightweight python-only library for reading and writing SMILES strings

39K 160 24
scbirlab
schemist

Organizing and processing tables of chemical structures.

1K 2 0
kevinshen56714
emc-pypi

Python interface for Enhanced Monte Carlo (EMC)

791 23 0
AstraZeneca
chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

398 779 102
tjkessler
smiles-encoder

One-hot encoding for simple molecular-input line-entry system (SMILES) strings

261 0 0
tjkessler
smiles-autoencoder

Autoencoder for SMILES strings

222 0 0
scbirlab
lchemme

🚄 Training and applying large chemistry models for embeddings.

152 0 0