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Name: Masterwho
Type: User
Location: Hangzhou
Name: Masterwho
Type: User
Location: Hangzhou
a tool for protein-ligand binding affinity prediction
Accerelarting Chemical discovery with Graph Transformer
Chemoinformatics tool for ligand-based virtual screening
OFFICIAL: AnteChamber PYthon Parser interfacE
Unsupervised Domain Adaptation of Contextualized Embeddings for Sequence Labeling
To eventually become a Pytorch implementation of Alphafold2, as details of the architecture get released
A tool for retrosynthetic planning
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
the simple alchemistry library
Molecular docking with Alchemical Interaction Grids
Open source code for AlphaFold.
AlphaFold2 non-docker setup
An implementation of the DeepMind's AlphaFold based on PyTorch for research
Protein surface topographical mapping tool
python package to run AmberTI
(Linux) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
Software for biomolecular electrostatics and solvation calculations
APBS and PDB2PQR software
Web server and RESTful backend services for APBS and PDB2PQR
Atom Pair Based scoring function
Data and models (with prediction scripts) used in publications related to Apollo1060 platform
The Automated Protein-Protein Free Energy tooL (APPFEL.py) is designed to calculate the affinity of any protein-protein complex starting only from the complex three-dimensional structure.
AutoDock for GPUs and other accelerators
AutoDock Vina
Awesome papers related to generative molecular modeling and design.
run_alphafold.sh for AlphaFold v2.1 and later
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
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.