Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with attention learning (CORDIAL).
☆19Sep 22, 2025Updated 9 months ago
Alternatives and similar repositories for CORDIAL
Users that are interested in CORDIAL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆24Updated this week
- Lightweight induced fit docking☆22May 22, 2023Updated 3 years ago
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 3 months ago
- 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.
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 4 months ago
- ☆15Mar 5, 2026Updated 4 months ago
- Community-contributed extensions to the Chemprop machine learning package☆21May 12, 2026Updated 2 months ago
- Building a DCA Frustratometer from scratch. Ultimately we aim to compare frustrated sites according to the DCA and AWSEM Frustratometers.☆15Jan 8, 2026Updated 6 months ago
- ☆31Jul 8, 2026Updated last week
- ☆15Feb 27, 2026Updated 4 months ago
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆19Updated this week
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 7 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆14Nov 5, 2024Updated last year
- One protein is all you need (ICLR 2026)☆113Apr 22, 2026Updated 2 months ago
- KinDEL is a large DNA-encoded library dataset containing two kinase targets (DDR1 and MAPK14) for benchmarking machine learning models.☆29Sep 2, 2025Updated 10 months ago
- Python rich client for visual protein Sequence to Structure Analysis☆21Mar 31, 2026Updated 3 months ago
- Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.☆18Apr 8, 2026Updated 3 months ago
- ☆35Updated this week
- Reinforcement learning based cyclic peptide binder design☆18Jul 22, 2025Updated 11 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- ☆29Feb 27, 2026Updated 4 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆58Jul 5, 2026Updated 2 weeks ago
- ☆18Jan 15, 2026Updated 6 months ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- Latents-based conformational control in OpenFold3.☆73May 25, 2026Updated last month
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆26Oct 18, 2025Updated 9 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆17Sep 13, 2025Updated 10 months ago
- Origin-1: a generative AI platform for de novo antibody design against novel epitopes☆81Jul 10, 2026Updated last week
- A deep learning framework (CreoPep) for target-specific design and optimization of conotoxin peptides☆16Mar 28, 2026Updated 3 months ago
- 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.
- Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics☆16May 7, 2026Updated 2 months ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆59Updated this week
- Metrics to evaluate distributional coverage of generative models of protein structures.☆21Aug 13, 2025Updated 11 months ago
- ☆24Dec 4, 2025Updated 7 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- ChemAudit helps researchers validate, standardize, and assess the quality of chemical structures before using them in machine learning mo…☆64Updated this week
- Cheminformatics package from the Miranda-Quintana group☆22Jun 20, 2026Updated last month