OdinZhang/zhr-action-demo
浙江大学健康打卡自动打卡脚本 GitHub Action 例子,只需一步 Fork 即可使用,每天定时帮你自动打卡。
CS Ph.D. student at Baker Lab & Gaurav Lab. e-mail: [email protected]
浙江大学健康打卡自动打卡脚本 GitHub Action 例子,只需一步 Fork 即可使用,每天定时帮你自动打卡。
A universal structure-directed lead optimization
Tutorials, Code, and Slides
my own studied materials and scripts
SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
3D_Molecular_Generation
Google AI Research
Pytorch🍊🍉 is delicious, just eat it! 😋😋
Official repository of "ODesign: A World Model for Biomolecular Interaction Design"
This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
CSCI5370-ULTRA Quantum Computing
I really appreciate this work, providing an decent status of molecular generation work, everyone in this field could use it as a pedagogical tool.
This is the mini-project homework of CUHK AIST5030
ECloudGen: Leverage Quantum Physics to Scale Chemical Space for Structure-based Molecular Design
When you face some problem in drug discovery, just delete
A project starting from 2022
This repository aims to provide samples from structure-based molecular generation models for quick review
The modified version of PrefixMol
The code example of the book "GNN and Modern Drug Discovery", written by the ancient Greek god overseeing GNNs.
Python source code for 3D/MI/QSAR models
计算机自学指南
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.