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Name: Rodolpho C. Braga
Type: User
Company: InsilicAll
Bio: Co-founder and CTO at InsilicAll. Senior Data Scientist, Toxicology and Drug Discovery Specialist
Location: São Paulo, Brazil
Name: Rodolpho C. Braga
Type: User
Company: InsilicAll
Bio: Co-founder and CTO at InsilicAll. Senior Data Scientist, Toxicology and Drug Discovery Specialist
Location: São Paulo, Brazil
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
ABNT(Associação Brasileira de Normas Técnicas) - Most Brazilian Universities
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
ChEMBL database structure pipelines
CReM: chemically reasonable mutations framework
deephERG
Deep Learning models applied to the analysis of VIS-NIR spectral data
This repository contains implementations and illustrative code to accompany DeepMind publications
Lightweight RDKit images for production deployment
Python workflow for DP4 analysis of organic molecules
3D molecular fingerprints
Chemistry fork of eLabFTW
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
Generative Tensorial Reinforcement Learning (GENTRL) model
Official repository for multitask deep learning models.
Novel molecules from a reference shape!
Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
🐣 Machine Learning awesome cheatsheet
The implementation of Modof for Molecule Optimization
The graph-convolutional neural network for pka prediction
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.