jenkescheen Goto Github PK
Type: User
Company: ASAP / OMSF
Bio: Computational chemistry // Alchemical Free Energy calculations // Machine learning
Twitter: JenkeScheen
Type: User
Company: ASAP / OMSF
Bio: Computational chemistry // Alchemical Free Energy calculations // Machine learning
Twitter: JenkeScheen
github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
Package for consistent reporting of relative free energy results
Scripts and input files associated with docking and free energy calculations for the COVID Moonshot
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
The Open Free Energy toolkit
An Open-Source Molecular Builder and Free Energy Preparation Workflow
The official sources for the RDKit library
Sire Molecular Simulations Framework
This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
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.