deepmodeling / Uni-Mol
Official Repository for the Uni-Mol Series Methods
☆843Updated last week
Alternatives and similar repositories for Uni-Mol:
Users that are interested in Uni-Mol are comparing it to the libraries listed below
- List of Molecular and Material design using Generative AI and Deep Learning☆792Updated this week
- AI-powered ab initio biomolecular dynamics simulation☆501Updated 2 months ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆506Updated 2 months ago
- Awesome papers related to generative molecular modeling and design.☆323Updated 4 months ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,233Updated last week
- Repository for MolFormer☆308Updated last year
- A Euclidean diffusion model for structure-based drug design.☆414Updated 2 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆332Updated last year
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆277Updated 2 years ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆477Updated last month
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆286Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆522Updated 3 weeks ago
- A deep learning framework for molecular docking☆710Updated last week
- rdkit总结与实践☆228Updated 4 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆289Updated last year
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆522Updated last year
- an efficient distributed PyTorch framework☆136Updated last month
- Awesome-Biomolecule-Language-Cross-Modeling: a curated list of resources for paper "Leveraging Biomolecule and Natural Language through M…☆207Updated 3 weeks ago
- ☆242Updated last month
- ☆496Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆256Updated last year
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆181Updated last week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆854Updated last month
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆437Updated 4 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆318Updated last year
- Public RFDiffusionAA repo☆390Updated 10 months ago
- An open-source platform for developing protein models beyond AlphaFold.☆392Updated 10 months ago
- GEOM: Energy-annotated molecular conformations☆221Updated 3 years ago
- Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.☆277Updated last year
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆356Updated last year