mims-harvard / ATOMICALinks
Learning Universal Representations of Intermolecular Interactions with ATOMICA
☆188Updated last month
Alternatives and similar repositories for ATOMICA
Users that are interested in ATOMICA are comparing it to the libraries listed below
Sorting:
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆105Updated last year
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆136Updated 11 months ago
- Plugin for folding sequences directly in PyMOL☆104Updated 2 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆170Updated 2 months ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆134Updated last week
- Sandbox for Deep-Learning based Computational Protein Design☆117Updated 2 weeks ago
- Dataset and package for working with protein-protein interactions in 3D☆96Updated 6 months ago
- Foster the development of impactful AI models in drug discovery.☆138Updated 2 months ago
- A model-context-protocol server for molecules.☆83Updated 6 months ago
- ☆222Updated last year
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆182Updated last month
- Improved antibody structure-based design using inverse folding☆142Updated 2 months ago
- Protein-ligand structure prediction☆229Updated 3 months ago
- Generative modeling of molecular dynamics trajectories☆176Updated 6 months ago
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆124Updated 2 years ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆103Updated 10 months ago
- ☆113Updated 2 years ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆86Updated 4 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆151Updated 2 weeks ago
- Protein structure datasets for machine learning.☆112Updated 6 months ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆115Updated 5 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆142Updated 6 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆113Updated last month
- ☆65Updated 6 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆219Updated last year
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆84Updated last month
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆163Updated 3 weeks ago
- Structure prediction of alternative protein conformations☆80Updated 8 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- Let LLM run your MDs.☆229Updated last month