lvotapka Goto Github PK
Name: Lane Votapka
Type: User
Name: Lane Votapka
Type: User
Solve differential equations using spectral methods developed by E. Coutsias
Deep learning for molecules and materials book
Modeling with limited data
Meld plugin for OpenMM
MMVT SEEKR is a multiscale simulation approach for calculating ligand binding kinetics
Data and scripts to analyze netsci for paper.
The fundamental package for scientific computing with Python.
OneDimensionalCOM until I update meld-openmm-plugin
Hugo website source for openforcefield.org
OpenMM is a toolkit for molecular simulation using high performance GPU code.
OpenSEEKR is an extension of the SEEKR suit of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.
The OpenSMILES specification
Quantum Mechanics – Molecular Mechanics ( QMMM ) forcefield Reparamaterisation of the Binding site for the receptor-ligand complexes
Quantum Mechanical - Molecular Mechanical Re-parameterization of the Receptor-Ligand Binding site implemented in Simulation Enabled Estimation of Kinetic Rates (SEEKR)
Simulation-Enabled Estimation of Kinetic Rates (SEEKR): a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
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.