ESM-driven Pocket Cross Similarity
☆18Aug 11, 2025Updated last year
Alternatives and similar repositories for epocs
Users that are interested in epocs are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository provides the scripts to generate and analyze the LOBSTER dataset of small molecule superpositions. The dataset is availab…☆12Nov 18, 2024Updated last year
- ☆25Jul 20, 2026Updated 3 months ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- DrugDomain database☆11Sep 16, 2025Updated last year
- QM-ATLAS is a python package that orchestrates QM calculations. Based on thin wrappers of external software, more complex modules are bui…☆15Oct 12, 2026Updated 3 weeks ago
- 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.
- Modular Genome Assembly, Annotation and Assessment Pipeline☆23Mar 16, 2026Updated 7 months ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Apr 14, 2026Updated 6 months ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆26Oct 21, 2025Updated last year
- [NeurIPS 2026] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Updated this week
- Facile exploration and assessment of chemical tautomer space.☆13Aug 20, 2025Updated last year
- Research repository for diffusion based structure based drug design☆31Mar 12, 2025Updated last year
- Partner specific prediction of protein binding sites☆10Mar 13, 2023Updated 3 years ago
- ☆14Nov 11, 2024Updated last year
- ☆13Jul 14, 2025Updated last year
- 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.
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- Official repository for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Scie…☆103Jul 15, 2025Updated last year
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Nov 12, 2021Updated 4 years ago
- ShapeEmbed: a self-supervised representation learning framework for 2D shape analysis☆13Apr 23, 2026Updated 6 months ago
- Building more accurate protein structures from backbone torsion angles☆16Mar 21, 2025Updated last year
- ☆14Oct 27, 2024Updated 2 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- ☆14Aug 18, 2026Updated 2 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years 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.
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆16Oct 31, 2014Updated 12 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months ago
- A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design☆22Feb 11, 2025Updated last year
- Explore protein language model embeddings in your browser — surface relationships sequence similarity misses, overlay annotations, and tr…☆17Updated this week
- A fragment-based molecular assembly toolkit☆54Updated this week
- ☆13Jun 7, 2025Updated last year
- rdkit scripts making life easier☆81Oct 27, 2026Updated last week
- ☆12Jul 16, 2025Updated last year
- ☆18Jul 7, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- Fragment-based Molecular Expansion☆28Jan 11, 2024Updated 2 years ago
- DrugPipe: Generative artificial intelligence-assisted virtual screening pipeline for generalizable and efficient drug repurposing☆20Jun 9, 2025Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆59Jul 22, 2025Updated last year
- Modelling protein conformations with Alphafold3☆17Oct 27, 2026Updated last week
- ☆40Feb 20, 2026Updated 8 months ago
- ☆28Oct 30, 2023Updated 3 years ago