dptech-corp / Uni-Core
an efficient distributed PyTorch framework
☆122Updated 3 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for Uni-Core
- Open source code for TankBind. Galixir Tenchnologies☆150Updated last year
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆75Updated 11 months ago
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆74Updated last month
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆131Updated 6 months ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆203Updated last year
- GEOM: Energy-annotated molecular conformations☆203Updated 2 years ago
- An awesome & curated list of docking papers☆78Updated this week
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆267Updated last year
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆165Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆114Updated 3 months ago
- Papers about Structure-based Drug Design (SBDD)☆85Updated 2 weeks ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆87Updated last year
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆161Updated 3 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆219Updated 10 months ago
- ☆126Updated 2 years ago
- MDM☆45Updated 9 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆69Updated 6 months ago
- ☆213Updated 2 months ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆102Updated last year
- SciAssess is a comprehensive benchmark for evaluating Large Language Models' proficiency in scientific literature analysis across various…☆63Updated last month
- ☆62Updated last year
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆183Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆75Updated 2 years ago
- ☆89Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆302Updated 7 months ago
- ☆44Updated 2 years ago
- Uni-Dock: a GPU-accelerated molecular docking program☆189Updated 3 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆87Updated last year
- ☆159Updated last month
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆250Updated last year