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Name: xy21hb
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Name: xy21hb
Type: User
Automated conformational search with a genetic algorithm interfaced with a Psi4-input generator for conformers that requires only SMILES as input
A comprehensive suite of tools for analyzing liquid solvation structure.
Open-source tool for synthons-based library design.
Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
TCRconv is a deep learning model for predicting recognition between T cell receptors and epitopes. It uses protBERT embeddings for the TCRs and convolutional neural networks for the prediction.
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
ThermoNet is a computational method for quantitative prediction of the impact of single-point mutations on protein thermodynamic stability. The core algorithm of ThermoNet is an ensemble of deep 3D convolutional neural networks.
this is official implement of Tora3D
A powerful and flexible machine learning platform for drug discovery
Tree-Invent: A novel molecular generative model constrained with topological tree
Official Repository for the Uni-Mol Series Methods
The ViennaRNA Package
This is the supporting code for the paper «Generating customized compound libraries for drug discovery with machine intelligence».
Tool to predict water molecules placement and energy in ligand binding sites
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.