dptech-corp / Uni-CoreLinks
an efficient distributed PyTorch framework
☆150Updated 3 months ago
Alternatives and similar repositories for Uni-Core
Users that are interested in Uni-Core are comparing it to the libraries listed below
Sorting:
- Official repository for MolCRAFT series☆124Updated this week
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆177Updated 10 months ago
- Open source code for TankBind. Galixir Tenchnologies☆170Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆133Updated 3 months ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆216Updated 2 years ago
- An awesome & curated list of docking papers☆117Updated 7 months ago
- ☆275Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆127Updated last month
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆114Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆296Updated last year
- ☆64Updated 4 months ago
- ☆49Updated 3 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆89Updated last year
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆67Updated 2 years ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆92Updated 5 months ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆352Updated last year
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆97Updated 2 years ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆177Updated 2 years ago
- ☆95Updated 4 months ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆56Updated last year
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆169Updated 4 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆126Updated last year
- ☆133Updated 4 months ago
- ☆92Updated last year
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆95Updated 9 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆356Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆217Updated 5 months ago
- ☆76Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆235Updated 3 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆38Updated 3 months ago