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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- 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 - 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 - espaloma Public
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
choderalab/espaloma’s past year of commit activity - 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
An ETL pipeline package to facilitate structure-based ML for 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
