chemphy Goto Github PK
Type: User
Type: User
simple rdkit script
Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
WebGL accelerated JavaScript molecular graphics library
This repository contains setup instructions and the notebooks for the AI in drug discovery workshops
AlphaFold Meets Flow Matching for Generating Protein Ensembles
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
A Collection of Platform, Tools, and Resources for Antibody Engineering
Aromatic stacking
Calculation of interatomic interactions in molecular structures
ANI-1 neural net potential with python interface (ASE)
Case study analysis of publicly available AstraZeneca data sets CHEMBL3301363 and CHEMBL3301365
Python molecular modeller (with .pdb and .xyz parsing and production)
Python Scripts used within the AutoCouple methodology developped by the groups of Prof. Caflisch and Prof. Nevado
Chemical fragment attach for lead optimization
A curated list of awesome Cheminformatics libraries and software.
AstraZeneca add-ons to Orange.
The Biochemical Algorithms Library
Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)
OpenTox functionality for Bioclipse.
复旦大学生命科学学院《生命科学中的机器学习》
BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluation (OASis) and an interface for computer-assisted antibody sequence design.
Tools for working with USPTO bulk data product offerings.
Computer Aided Drug Discovery (CADD) GRC 2013 - slides, references, and examples
Main repository for the CAOS language.
Code for the OOMMPPAA and WONKA projects
This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity search architecture for compounds/molecules.
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.