choderalab Goto Github PK
Name: Chodera lab // Memorial Sloan Kettering Cancer Center
Type: Organization
Location: Memorial Sloan-Kettering Cancer Center, Manhattan, NY
Blog: http://choderalab.org
Name: Chodera lab // Memorial Sloan Kettering Cancer Center
Type: Organization
Location: Memorial Sloan-Kettering Cancer Center, Manhattan, NY
Blog: http://choderalab.org
Tutorials, examples, and thoughts on alchemical free energy calculations
Alchemical tools for OpenMM
AMBER FB-15 forcefield
A stripped-down set of just antechamber, sqm, and tleap.
Assessing the impact of mutations on antibody-antigen binding affinity
Repo for the code used in a paper for docking predictions to MERS Mpro
Tools for retrospective and propsective evaluation of ASAP ML models
Repository to store the code used for a paper exploring methods for SARS-2 Mpro Docking.
Modeling and Bayesian analysis of fluorescence and absorbance assays.
Bayesian statistics-based assay modelling, accelerated by TensorFlow.
Perform benchmark and stability tests foe a set of NNPs
Code and data for AurA simulations
Automatic detection of equilibrated regions of molecular simulations
Automatic state decomposition Fortran90 code (outdated)
Sandbox for the development of active-learning algorithms for automated drug discovery.
A repository for downloading and analyzing the available Avoidome structures
General Framework for Bayesian Parameterization of Force Fields
Repository to host our developmental bayesian free energy methods
Python tools for the analysis and modeling of isothermal titration calorimetry (ITC) experiments.
Bayesian BAR notes
Bayesian Learning on Laboratory Investigation
YANK: GPU-accelerated calculation of ligand binding affinities
Buffer recipes for use with Revo
Computer Aided Drug Discovery (CADD) GRC 2013 - slides, references, and examples
Code and examples for the CECAM workshop "Developing interoperable and portable molecular simulation libraries"
Tools for cell-free expression of proteins
AM1-BCC ELF10 small molecule training datasets
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 is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
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.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.