Learning Universal Representations of Intermolecular Interactions with ATOMICA
☆227Sep 3, 2026Updated this week
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:
- It's a package for evaluation of predicted poses, right?☆78Jul 13, 2026Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆179Jun 25, 2026Updated 2 months ago
- Plausibility checks for generated molecule poses.☆402Mar 7, 2026Updated 5 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆246Updated this week
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 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.
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆263Nov 5, 2025Updated 9 months ago
- A model-context-protocol server for molecules.☆96Apr 20, 2025Updated last year
- PoseX: A Molecular Docking Benchmark☆84Mar 23, 2026Updated 5 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆307Aug 27, 2026Updated last week
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆544Mar 22, 2026Updated 5 months ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆873Updated this week
- Feynman-Kac steering for controllable protein diffusion☆37Aug 16, 2026Updated 2 weeks ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆62Jan 28, 2026Updated 7 months ago
- An Open-source Drug Discovery Engine☆445Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Structure prediction and design of proteins with noncanonical amino acids☆146Feb 1, 2026Updated 7 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆272Jul 24, 2025Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆228Apr 15, 2025Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆90Jun 23, 2024Updated 2 years ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆195Jun 24, 2024Updated 2 years ago
- Diffusion-based all-atom protein generative model.☆239Aug 27, 2025Updated last year
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆89Sep 23, 2025Updated 11 months ago
- A generalized computational framework for biomolecular modeling.☆444Aug 20, 2026Updated 2 weeks ago
- Scripts to run AlphaFold3, Boltz-2, Chai-1, OpenFold3, Protenix & RF3 with MMseqs2 MSAs and custom templates.☆115Aug 18, 2026Updated 2 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆84Jul 22, 2026Updated last month
- Sidechain conditioning and modeling for full-atom protein sequence design☆149Nov 11, 2025Updated 9 months ago
- Official repository for the Boltz biomolecular interaction models☆4,196May 29, 2026Updated 3 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Updated this week
- ☆68Apr 28, 2025Updated last year
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆145Sep 3, 2025Updated last year
- ☆259Feb 12, 2026Updated 6 months ago
- Learning the language of protein-protein interactions☆155Jun 15, 2026Updated 2 months ago
- A standardized protein design benchmark for motif-scaffolding problems☆84Aug 27, 2026Updated last week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆316Apr 13, 2026Updated 4 months ago
- IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.☆228Jun 23, 2026Updated 2 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 30, 2024Updated 2 years ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆126May 27, 2025Updated last year
- One protein is all you need (ICLR 2026)☆116Aug 1, 2026Updated last month
- ☆152May 18, 2026Updated 3 months ago
- ☆818May 18, 2026Updated 3 months ago