Learning Universal Representations of Intermolecular Interactions with ATOMICA
☆221Apr 13, 2026Updated 2 months ago
Alternatives and similar repositories for ATOMICA
Users that are interested in ATOMICA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 4 months ago
- A model-context-protocol server for molecules.☆94Apr 20, 2025Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆60Jan 28, 2026Updated 4 months ago
- ☆69Apr 28, 2025Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆90Jun 23, 2024Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- [ICML 25] We train and evaluate SAEs to identify interpretable features in pLMs and show their potential for scientific discovery.☆126Apr 23, 2026Updated last month
- Diffusion-based all-atom protein generative model.☆236Aug 27, 2025Updated 9 months ago
- Code for the paper "Learning to engineer protein flexibility".☆22Mar 24, 2026Updated 2 months ago
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆77Sep 23, 2025Updated 8 months ago
- Toolkit for alphafold3 input and output files☆104Updated this week
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆529Mar 22, 2026Updated 2 months ago
- Making Protein Language Modeling Accessible to All Biologists☆165Jun 4, 2026Updated last week
- Official repository of EnzymeFlow☆102Dec 7, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆832Updated this week
- Sidechain conditioning and modeling for full-atom protein sequence design☆140Nov 11, 2025Updated 7 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆292May 28, 2026Updated 2 weeks ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆192Jun 24, 2024Updated last year
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated last year
- ☆586Feb 6, 2025Updated last year
- OMNI-P2x: A universal neural network potential for excited states☆14Mar 19, 2026Updated 2 months ago
- Learning the language of protein-protein interactions☆150Apr 14, 2026Updated 2 months ago
- ☆26Mar 9, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆253Feb 12, 2026Updated 4 months ago
- protein structure generation with sparse all-atom denoising models☆63Apr 23, 2026Updated last month
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆137Sep 3, 2025Updated 9 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆222Apr 15, 2025Updated last year
- Benchmarking code accompanying the release of `bioemu`☆63Jun 5, 2026Updated last week
- Protein Engineering via Exploration of an Energy Landscape☆139May 15, 2026Updated last month
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆127May 27, 2025Updated last year
- Official repository for the Boltz biomolecular interaction models☆4,021May 29, 2026Updated 2 weeks ago
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆38Jul 25, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆809May 18, 2026Updated 3 weeks ago
- Fragment binding prediction with ColabFold☆44Nov 9, 2025Updated 7 months ago
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- ☆66Feb 17, 2026Updated 3 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆308Apr 13, 2026Updated 2 months ago
- Metrics to evaluate distributional coverage of generative models of protein structures.☆21Aug 13, 2025Updated 10 months ago
- A standardized protein design benchmark for motif-scaffolding problems☆80Jun 3, 2026Updated last week