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bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
Process BindingDB
source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics"
Protein-compound affinity prediction through unified RNN-CNN
Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
Python package for graph neural networks in chemistry and biology
a novel DTA predition method using graph neural network
A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.
University of Bath - Software Engineering 2 - Group Coursework
InterpretableDTIP
Collection of data sets of molecules for a validation of properties inference
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
An official Molecule Transformer Drug Target Interaction (MT-DTI) model
SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.
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.