A benchmark dataset for protein-ligand co-folding prediction
☆91Aug 13, 2025Updated last year
Alternatives and similar repositories for runs-n-poses
Users that are interested in runs-n-poses are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 2D portraits of 3D protein structures☆27May 14, 2026Updated 4 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Plausibility checks for generated molecule poses.☆403Updated this week
- "Rewriting protein alphabets with language models"☆26Jun 9, 2026Updated 3 months ago
- FoldBench is a low-homology benchmark spanning proteins, nucleic acids, ligands, and six major interaction types, enabling assessments th…☆153May 9, 2026Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Protein Ligand INteraction Dataset and Evaluation Resource☆312Updated this week
- It's a package for evaluation of predicted poses, right?☆78Jul 13, 2026Updated 2 months ago
- A generalized computational framework for biomolecular modeling.☆446Aug 20, 2026Updated 3 weeks ago
- ☆12May 3, 2025Updated last year
- ☆77Jun 16, 2026Updated 3 months ago
- Docking Tool Benchmarking Workflow☆25Jul 17, 2024Updated 2 years ago
- An Open-source Drug Discovery Engine☆480Sep 2, 2026Updated 2 weeks ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆268Nov 5, 2025Updated 10 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆247Sep 1, 2026Updated 2 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A conditionally adapted protein language model for the generation of enzymes☆24Nov 26, 2024Updated last year
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆14Updated this week
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Aug 5, 2026Updated last month
- Codebase for SigmaDock: Untwisting Molecular Docking with SE(3) Fragmented Diffusion☆101Apr 7, 2026Updated 5 months ago
- IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.☆230Updated this week
- ☆13Mar 17, 2024Updated 2 years ago
- Code for deep learning guided design of dynamic proteins☆35Jul 16, 2024Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆308Dec 23, 2025Updated 8 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 2024Updated last year
- 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.
- Multi-domain Distribution Learning for De Novo Drug Design☆166Jan 26, 2026Updated 7 months ago
- ☆187Jul 24, 2026Updated last month
- ☆18Feb 2, 2026Updated 7 months ago
- ☆34Dec 6, 2025Updated 9 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,058Aug 1, 2026Updated last month
- A fully open source biomolecular structure prediction model based on AlphaFold3☆875Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆179Jun 25, 2026Updated 2 months ago
- Scripts for the creation of CryptoBench, a new dataset of cryptic binding sites☆21Jun 24, 2026Updated 2 months ago
- ☆84Jun 10, 2026Updated 3 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆18Jul 30, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆100Nov 3, 2024Updated last year
- A package to create, visualize, and analysis PDB-derived pseudo-ensembles.☆12Jan 7, 2026Updated 8 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆29Mar 20, 2026Updated 5 months ago
- 📐 Symmetry-corrected RMSD in Python☆123Aug 3, 2026Updated last month
- Automated Adaptive Absolute alchemical Free Energy calculator☆128Jul 28, 2026Updated last month