A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease
MIT License
Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
Integrate your chemometric tools with the scikit-learn API 🧪 🤖
Python tools for analysis of chemical compounds.
A Python 3 version of the protein descriptor package propy
Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
Tools for generating hydrogen-bond interaction visualizations from Hbind
A lightweight python-only library for reading and writing SMILES strings
A Python toolkit for the analyis of lipid membrane simulations
Fast Molecular Property Prediction with mordredcommunity
"Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular e...
The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by ...
A collection of useful tutorials for Protein Science