FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
☆39Oct 9, 2024Updated last year
Alternatives and similar repositories for featuredock
Users that are interested in featuredock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆28Updated this week
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 3 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆22Oct 2, 2024Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Aug 17, 2023Updated 2 years ago
- A tool for protein and protein complex structure prediction.☆29Jun 13, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆132Sep 3, 2025Updated 7 months ago
- ☆21Jul 14, 2024Updated last year
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆53Nov 5, 2025Updated 5 months ago
- Humanness of de-novo designed proteins☆41May 19, 2025Updated 10 months ago
- ☆29May 5, 2025Updated 11 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆57Mar 30, 2026Updated 2 weeks ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 7 months 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 Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- ☆74Feb 13, 2026Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated 10 months ago
- ☆11Oct 14, 2023Updated 2 years ago
- Web application for protein-ligand binding sites analysis and visualization☆16Jan 9, 2023Updated 3 years ago
- ☆16Sep 26, 2025Updated 6 months ago
- ☆15Feb 27, 2026Updated last month
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- PLMFit platform for TL on PLMs☆20Aug 13, 2025Updated 8 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆82Nov 25, 2025Updated 4 months ago
- A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library☆17Feb 18, 2025Updated last year
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆52Oct 27, 2025Updated 5 months ago
- ☆29Oct 7, 2024Updated last year
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 6 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆240Sep 29, 2025Updated 6 months ago
- Instructions for Building Software on Various Platforms☆17May 12, 2025Updated 11 months ago
- ☆41Jul 8, 2023Updated 2 years ago
- Code used in paper for G-loop mining.☆21Feb 23, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆31Dec 12, 2024Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Jul 22, 2025Updated 8 months ago
- Python rich client for visual protein Sequence to Structure Analysis☆19Mar 31, 2026Updated 2 weeks ago
- Pembrolizumab-like Antibody Hallucination using AlphaFold2☆16Nov 10, 2023Updated 2 years ago
- ☆19Jan 9, 2023Updated 3 years ago
- ☆37Jun 17, 2025Updated 9 months ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago