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Autoencoder network for learning a continuous representation of molecular structures.
Reanalysis of Hie et al. using uncertainty paper
Listing of papers about machine learning for proteins.
The MinHashed Atom Pair fingerprint of radius 2
The official implementation of the Molecule Attention Transformer.
MDAnalysis is a Python library to analyze molecular dynamics simulations.
A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
Machine learning script and supporting information and for predicting enzyme substrate scope
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Moleculenet.ai Datasets And Splits
C++/Python Library for Systematic Chemical Space Exploration
Chemical-Reaction-Aware Molecule Representation Learning
MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Modular BioJS compoment for a multiple sequence alignment
Neural Network Force Field based on PyTorch
Generative Models for Graph-Based Protein Design
Jupyter widget to interactively view molecular structures and trajectories
Neural networks for deep mutational scanning data
Neural relational inference for molecular dynamics simulations
Build and run Docker containers leveraging NVIDIA GPUs
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
GPU-acclelerated OpenFMO source code, including RHF-skeleton program (Released Version 1.0)
List of papers about Proteins Design using Deep Learning
PDNET: A fully open-source framework for deep learning protein real-valued distances
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.