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Computes a molecular graph for protein structures.
Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
Protein Graph in Python for MetaPath-ML and more.
ProtGraph - A Graph-Generator for Proteins
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
WebGL protein viewer
machine learning, molecular descriptor
Use UCSF Chimera Python API in a standard interpreter
🧬 - Data management and modeling framework based on EnzymeML.
Efficient pythonic random access to fasta subsequences
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
PyTorch Library for Active Learning to accompany Human-in-the-Loop Machine Learning book
Graph Neural Network Library for PyTorch
Workshop teaching QMMM using Amber
QUICK: A GPU-enabled ab intio quantum chemistry software package
Factorization Machines for Recommendation and Ranking Problems with Implicit Feedback Data
A script to run structural alerts using the RDKit and ChEMBL
Wrapper for RDKit's RunReactants to improve stereochemistry handling
The official sources for the RDKit library
Modification of the code of Rajarshi Guha (which uses OECHem) to use RDKIT.
Reinforcement Learning based bioretrosynthesis tool
A machine learning approach to predicting protein-ligand binding affinity.
RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Marks Lab at Harvard.
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.