Name: John Chodera
Type: User
Company: Memorial Sloan Kettering Cancer Center
Bio: Assistant Professor at the Memorial Sloan Kettering Cancer Center. Computational drug discovery, biophysics, and scalable Bayesian inference.
Location: New York, NY
Blog: http://choderalab.org
ace
Admission to candidacy exam.
alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
alchemy
Alchemical tools for OpenMM
ambermini
A stripped-down set of just antechamber, sqm, and tleap.
ambertools-feedstock
A conda-smithy repository for ambertools.
ani1_dataset
assaytools
Python tools for the modeling and Bayesian analysis of fluorescence assays
automatic-equilibration-detection
Automatic detection of equilibrated regions of molecular simulations
bayesian-itc
Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
benchmarksets
Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
bhmm
Bayesian hidden Markov models toolkit
bhmm-force-spectroscopy-manuscript
Bayesian hidden Markov models for analysis of single-molecule trajectory data
binstar
Binstar Client Library
cclib
Parsers and algorithms for computational chemistry logfiles
centos5-build-box
CentOS 5 build box (based on phusion/holy-build-box-64) with CUDA and AMD APP SDK
chem456
Web site for Chem 456 - Computational Biochemistry and Drug Design
choderalab-conda-recipes
conda build recipes for the Chodera lab http://choderalab.org
clusterutils
Utilities for running parallel jobs with Torque/Moab and MPI
clusterutils-feedstock
A conda-smithy repository for clusterutils.
conda-dev-recipes
Conda development recipes (*-dev packages), built 2x daily
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
conda-recipes
conda build recipes for the Omnia project
covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
cragganmore
Cytochrome P450 YANK calculations
deepchem
Deep-learning models for Drug Discovery and Quantum Chemistry
density-measurements
Density measurements made with the Chodera lab Mettler-Toledo DM40 and SC30 sample changer
devtools
Shared devtools useful to most packages.
dispensing-errors-manuscript
ensembler
Software pipeline for automating omics-scale protein modeling and simulation setup.
ensembler-manuscripts
Manuscript for Ensembler v1
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
