wwang2 Goto Github PK
Type: User
Company: @generatebio
Bio: differentiable molecular dynamics
Twitter: WujieWang
Location: Cambridge
Blog: https://wwj.mit.edu/
Type: User
Company: @generatebio
Bio: differentiable molecular dynamics
Twitter: WujieWang
Location: Cambridge
Blog: https://wwj.mit.edu/
A curated list of awesome mathematics resources
simple script which uses modeller to rebuild ca only protein models to all atom structures
Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"
Geometric super-resolution for molecular geometries
Football data for England (and Wales) incl. English Premier League, The Football League (Championship, League One, League Two), Football Conference etc.
A handy tool to visualize Gaussian beam propagation through lenses
Code for paper Generative Coarse-Graining of Molecular Conformations
A python utility to convert between XYZ and Z-matrix geometries.
Faster gradient/sensitivities without .backward()
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
Simulations based on Jarzynski's inequality for an Advanced Statistical Physics course
Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2021).
Everyone was simulating epidemic spread back then, I was too
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
Pytorch implement of the paper Neural Canonical Transformation with Symplectic Flows
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Solv@TUM - The Solvation Free Energy Database
The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.
my notes on stat mech and thermodynamics
Example deep learning projects that use wandb's features.
cod===
Converts an xyz file to an RDKit mol object
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.