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Making Protein folding accessible to all!
CoLiDe: Combinatorial Library Design tool for probing protein sequence space
Advanced and Fast Data Transformation in R
Easy to combine two molecules
files and scripts used for the study
ML Reproducibility Challenge "MARS: Markov Molecular Sampling for Multi-objective Drug Discovery" for COMP 541 Project
Workshop Materials of COMP90042 Natural Language Processing
Comparison of Adaptive Immune Receptor Repertoires
Scripts to perform analysis in Agreement between two large pan-cancer CRISPR-Cas9 gene dependency datasets
Play around repository for thinking of comp chem tools
Development of a MHC Class I peptide binding predictor
Project repository for 02-518 project: designing a neoantigen immunogenicity prediction algorithm to predict binding affinities and immunogenicities of mutant protein-Human Leukocyte Antigen (HLA) peptide pairs
Quick and dirty sample on how to do a quick compound evaluation on chemical properties
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in vitro (animal free) measurements. The predictions can be used for traditional dosimetry as well as in vivo-in vitro extrapolation (IVIVE). This repository is for reporting bugs and contributing enhancements.
I reproduced the research work of Delaney by predicting the solubility of molecules in Python using scikit-learn, rdkit and pandas libraries.
Computes apparent pKa values from QM dat
This repository contains code belonging to the work done on computer aided retrosynthesis within the SURF HPML team.
Tutorial materials on how to use simple, accessible CADD tools
Carcinogenicity prediction with graph neural networks
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.