List of Geometric GNNs for 3D atomic systems

Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"

📐 Jekyll theme for building a personal site, blog, project documentation, or portfolio.

Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"

Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

List of molecular design using Generative AI and Deep Learning

Repository of notes, code and notebooks in Python for the book Pattern Recognition and Machine Learning by Christopher Bishop

🏗️ A template for deep learning projects.

Paper list for equivariant neural network

Listing of papers about machine learning for proteins.

List of papers about Proteins Design using Deep Learning

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

📝 Anything for coding faster and more comfortable.

手把手教你使用 EndNote X9/NoteExpress

《机器学习》（西瓜书）公式详解

清华大学计算机系课程攻略 Guidance for courses in Department of Computer Science and Technology, Tsinghua University