Chodera lab // Memorial Sloan Kettering Cancer Center
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- Memorial Sloan-Kettering Cancer Center, Manhattan, NY
- http://choderalab.org
- john.chodera@choderalab.org
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Repositories
- openmmtools Public
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
choderalab/openmmtools’s past year of commit activity - missense-kinase-toolkit Public
A package to facilitate structure- and sequence-based ML for clinically relevant missense human kinase property prediction
choderalab/missense-kinase-toolkit’s past year of commit activity - fluorescence-assay Public
choderalab/fluorescence-assay’s past year of commit activity - asapdiscovery-sars-retrospective Public
Repository to store the code used for a paper exploring methods for SARS-2 Mpro Docking.
choderalab/asapdiscovery-sars-retrospective’s past year of commit activity - kinfold Public Forked from google-deepmind/alphafold
Modified AlphaFold 2 with a focus on templating for multi-state kinase predictions.
choderalab/kinfold’s past year of commit activity - fragment-fold Public
The goal of this repository is to house the scripts and data for taking a fragment screen from the Diamond Light Source and generating a modeled fragment screen for a set of related proteins
choderalab/fragment-fold’s past year of commit activity - broad-spectrum-asap-paper Public
Scripts and input files for structure-based prediction of affinity across the coronavirus family.
choderalab/broad-spectrum-asap-paper’s past year of commit activity
