mcs07

PubChemPy

Python wrapper for the PubChem PUG REST API.

ChemDataExtractor

Automatically extract chemical information from scientific documents

MolVS

Molecule Validation and Standardization

CIRpy

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

AnySearch-safari-extension

Safari extension to use a custom search engine in the Safari address bar, or disable searches completely.

KeySearch

A keyword search extension for Safari

docker-rdkit

RDKit Docker images

docker-postgres-rdkit

PostgreSQL Docker image with RDKit cartridge

cdeweb

Website for ChemDataExtractor

conda-recipes

rdkit

The official sources for the RDKit library

chemdataextractor-feedstock

A conda-smithy repository for chemdataextractor.

conda-openbabel

Conda build recipe for Open Babel

depict

SMILES Depiction Generator

docker-chempaper

Docker image with pandoc and a minimal TeX Live installation for building scientific articles.

flask-smorest-feedstock

A conda-smithy repository for flask-smorest.

gemmi

macromolecular crystallography library and utilities

gemmi-feedstock

A conda-smithy repository for gemmi.

graphene-sqlalchemy-feedstock

A conda-smithy repository for graphene-sqlalchemy.

inchi-feedstock

A conda-smithy repository for inchi.

matt-swain.com

My personal web site

mcs07

mmtf-python

The python implementation of the MMTF API, decoder and encoder.

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

openbabel-feedstock

A conda-smithy repository for openbabel.

pyMDmix

rdkit-feedstock

A conda-smithy repository for rdkit.

tesserocr-feedstock

A conda-smithy repository for tesserocr.

wtforms-feedstock

A conda-smithy repository for wtforms.

yacron-feedstock

A conda-smithy repository for yacron.