mcs07

Developing software for drug discovery

@DEShawResearchNew York, NY

Pinned Repositories

AnySearch-safari-extension
Safari extension to use a custom search engine in the Safari address bar, or disable searches completely.
Language:JavaScript77 5 910
ChemDataExtractor
Automatically extract chemical information from scientific documents
Language:Python312 18 28114
ChemSpiPy
Python wrapper for the ChemSpider API
Language:Python113 17 2127
CIRpy
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
Language:Python120 12 928
docker-rdkit
RDKit Docker images
Language:Dockerfile19 3 111
homebrew-cheminformatics
Cheminformatics formulae for the Homebrew package manager
Language:Ruby20 6 95
KeySearch
A keyword search extension for Safari
Language:JavaScript23 4 43
MolVS
Molecule Validation and Standardization
Language:Python163 19 2851
mongodb-chemistry
Ideas for chemical similarity searches in MongoDB.
Language:Python26 7 09
PubChemPy
Python wrapper for the PubChem PUG REST API.
Language:Python404 19 66109

mcs07's Repositories

mcs07/PubChemPy
Python wrapper for the PubChem PUG REST API.
Language:Python404 19 66109
mcs07/ChemDataExtractor
Automatically extract chemical information from scientific documents
Language:Python312 18 28114
mcs07/MolVS
Molecule Validation and Standardization
Language:Python163 19 2851
mcs07/CIRpy
Python wrapper for the NCI Chemical Identifier Resolver (CIR)
Language:Python120 12 928
mcs07/AnySearch-safari-extension
Safari extension to use a custom search engine in the Safari address bar, or disable searches completely.
Language:JavaScript77 5 910
mcs07/KeySearch
A keyword search extension for Safari
Language:JavaScript23 4 43
mcs07/docker-rdkit
RDKit Docker images
Language:Dockerfile19 3 111
mcs07/docker-postgres-rdkit
PostgreSQL Docker image with RDKit cartridge
Language:Dockerfile17 3 319
mcs07/cdeweb
Website for ChemDataExtractor
Language:HTML2 2 02
mcs07/conda-recipes
Language:Python2 3 32
mcs07/rdkit
The official sources for the RDKit library
Language:HTML1 2 0
mcs07/chemdataextractor-feedstock
A conda-smithy repository for chemdataextractor.
Language:Shell1 0
mcs07/conda-openbabel
Conda build recipe for Open Babel
Language:PowerShell1 0
mcs07/depict
SMILES Depiction Generator
Language:Java2 0
mcs07/docker-chempaper
Docker image with pandoc and a minimal TeX Live installation for building scientific articles.
Language:Dockerfile2 0
mcs07/flask-smorest-feedstock
A conda-smithy repository for flask-smorest.
1 0
mcs07/gemmi
macromolecular crystallography library and utilities
Language:C++1 0
mcs07/gemmi-feedstock
A conda-smithy repository for gemmi.
Language:Batchfile1 0
mcs07/graphene-sqlalchemy-feedstock
A conda-smithy repository for graphene-sqlalchemy.
Language:Shell1 0
mcs07/inchi-feedstock
A conda-smithy repository for inchi.
Language:Batchfile1 0
mcs07/matt-swain.com
My personal web site
Language:JavaScript2 0
mcs07/mcs07
2 0
mcs07/mmtf-python
The python implementation of the MMTF API, decoder and encoder.
Language:Python2 0
mcs07/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++2 0
mcs07/openbabel-feedstock
A conda-smithy repository for openbabel.
Language:Shell1 0
mcs07/pyMDmix
Language:RPC1 0
mcs07/rdkit-feedstock
A conda-smithy repository for rdkit.
Language:Shell2 0
mcs07/tesserocr-feedstock
A conda-smithy repository for tesserocr.
Language:Shell1 0
mcs07/wtforms-feedstock
A conda-smithy repository for wtforms.
Language:Shell2 0
mcs07/yacron-feedstock
A conda-smithy repository for yacron.
Language:Shell1 0