jharrymoore Goto Github PK
Name: Harry Moore
Type: User
Name: Harry Moore
Type: User
Materials for the March 2022 run of the MPI course on ARCHER2
CUDA implementations of MACE models
Scoring of shape and ESP similarity with RDKit
Python library for fast evaluation of periodic electrostatics using Ewald
PyTorch implementation of "Conditional Image Generation with PixelCNN Decoders" by van den Oord et al. 2016
Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
Collection of notebooks for intermediate python course
Differentiable, Hardware Accelerated, Molecular Dynamics
Universal extensible molecular simulation engine
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Interop package for running openmm simulations with MACE potentials
Pytorch differentiable molecular dynamics
MDplot: Visualise Molecular Dynamics
High-performance operations for neural network potentials
High level API for using machine learning models in OpenMM simulations
OpenMM plugin to define forces with neural networks
An example of how to write a plugin for OpenMM
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.