Folding-Docking-Affinity framework for protein-ligand affinity prediction
☆28Mar 20, 2025Updated last year
Alternatives and similar repositories for FDA
Users that are interested in FDA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 11 months ago
- ☆21Oct 2, 2024Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- SE(3) diffusion models for generating CDR loops☆10Feb 6, 2024Updated 2 years ago
- ☆10Oct 31, 2025Updated 5 months ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Diffusion model based protein-ligand flexible docking method☆118Oct 30, 2024Updated last year
- ☆23Jan 17, 2026Updated 2 months ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated last year
- ☆32Dec 3, 2021Updated 4 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆17Oct 27, 2024Updated last year
- ☆41Jul 8, 2023Updated 2 years ago
- ☆14Jan 8, 2025Updated last year
- ☆33Mar 9, 2026Updated last month
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆17Sep 4, 2023Updated 2 years ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 6 months ago
- ☆21Dec 11, 2024Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆141Jul 16, 2025Updated 8 months ago
- A python script for PyMol to make protein-ligand interaction images.☆18Apr 1, 2025Updated last year
- Scripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.☆105Updated this week
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- App for serotonergic targets☆12Jan 8, 2026Updated 3 months ago
- ☆11Aug 13, 2025Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆15Jan 16, 2026Updated 2 months ago
- ☆12Oct 9, 2024Updated last year
- ☆21Jul 14, 2024Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆65Dec 22, 2025Updated 3 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Jul 16, 2024Updated last year
- ☆42Mar 26, 2025Updated last year
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- ☆33Aug 12, 2024Updated last year
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago
- ☆22Updated this week
- ☆14Dec 2, 2024Updated last year
- ☆13Oct 9, 2024Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated last month
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆25Dec 24, 2025Updated 3 months ago