thegodone Goto Github PK
Name: guillaume godin
Type: User
Bio: Scientific Director in Artificial Intelligence
Location: geneva
Name: guillaume godin
Type: User
Bio: Scientific Director in Artificial Intelligence
Location: geneva
Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
A project to enable optimization of molecules by transforming them to and from a continuous representation.
Predict scalar coupling in molecules
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
The BERT-based embedding model for SMILES molecule representation
Molecular AutoEncoder in PyTorch
Interactive Notation for Computational Graphs
Molecular Orbital PACkage
Multi-Agent Reinforcement Learning of Crowd Simulation in GPU (PyTorch)
Neural Nearest Neighbors Networks (NIPS*2018)
Website code for COCONUT
unofficial repository of nauty and traces, see the official site for the latest
Neural Message Passing for Computer Vision
Code to train state-of-the-art Neural Machine Translation systems.
openbabel javavacript
Collaborative Phase of DREAM Olfaction Prediction Challenge
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.
Code repo for optimizing distributions of molecules.
Python / Tensorflow / Keras implementation of Parametric tSNE algorithm
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert
Protein target prediction using random forests and reliability-density neighbourhood analysis
piecewise-regression (aka segmented regression) in python. For fitting straight line models to data with one or more breakpoints where the gradient changes.
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.