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Type: Organization
Type: Organization
Simulation input files for the paper Alchemical Transfer Approach to Absolute Binding Free Energy Estimation.
The structural and input files for ATM RBFE on Mecrk Dataset
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
Extended DiffNet implementation with TensorFlow 2
Maximum likelihood estimation with TensorFlow of the parameters of an analytical model of alchemical molecular binding
A comprehensive toolkit for predicting free energies
OpenMM is a toolkit for molecular simulation using high performance GPU code.
An OpenMM plugin that implements the Alchemical Transfer Potential
A conda-smithy repository for openmm-atmmetaforce-plugin.
An OpenMM plugin implementing the AGBNP implicit solvent model
OpenMM plugin to implement single-decoupling method in alchemical free energy calculations
Example of the use of the single-decoupling method setup workflow
Simulation input files for the paper "Binding Selectivity Analysis from Alchemical Receptor Hopping and Ligand Swapping Free Energy Calculations"
A place where to share SAMPL9 bCD challenge input files etc.
Simulation Input files for self-RBFE project
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
A repository of simulation files for water-droplet and solute complexes.
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.