mims-harvard / ATOMICALinks
ATOMICA: Learning Universal Representations of Intermolecular Interactions
☆151Updated 2 months ago
Alternatives and similar repositories for ATOMICA
Users that are interested in ATOMICA are comparing it to the libraries listed below
Sorting:
- Plugin for folding sequences directly in PyMOL☆98Updated 4 months ago
- Improved antibody structure-based design using inverse folding☆126Updated last month
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆125Updated 7 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆126Updated 3 weeks ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆119Updated this week
- Sandbox for Deep-Learning based Computational Protein Design☆112Updated this week
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆97Updated last month
- ☆159Updated 2 weeks ago
- Dataset and package for working with protein-protein interactions in 3D☆92Updated last month
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆123Updated 2 months ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆102Updated 7 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆96Updated 10 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆157Updated 3 months ago
- ☆61Updated last month
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆121Updated 2 years ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆158Updated 4 months ago
- ☆95Updated 3 weeks ago
- Generative modeling of molecular dynamics trajectories☆156Updated 2 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆93Updated 2 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆94Updated 3 months ago
- A model-context-protocol server for molecules.☆76Updated 2 months ago
- Directed evolution of proteins in sequence space with gradients☆86Updated 10 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆95Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆78Updated 2 weeks ago
- FAPLM: A Drop-in Efficient Pytorch Implementation of Protein Language Models☆131Updated last week
- Official repository of EnzymeFlow☆91Updated 6 months ago
- Protein-ligand structure prediction☆217Updated 11 months ago
- Masif seed paper repository☆154Updated 2 years ago
- ☆108Updated 2 years ago