FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
☆40Oct 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☆32Apr 10, 2026Updated last month
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆297Dec 23, 2025Updated 5 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☆36Aug 17, 2023Updated 2 years ago
- A tool for protein and protein complex structure prediction.☆28Jun 13, 2025Updated 11 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆24Jul 14, 2024Updated last year
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆137Sep 3, 2025Updated 8 months ago
- 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.☆55Apr 20, 2026Updated last month
- Humanness of de-novo designed proteins☆42May 19, 2025Updated last year
- ☆29May 5, 2025Updated last year
- 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☆59Mar 30, 2026Updated last month
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 8 months ago
- 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.
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- ☆74Feb 13, 2026Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- ☆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 7 months ago
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- PLMFit platform for TL on PLMs☆21Aug 13, 2025Updated 9 months ago
- ☆84May 18, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library☆17Feb 18, 2025Updated last year
- ☆17Feb 27, 2026Updated 2 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☆248Sep 29, 2025Updated 7 months ago
- Instructions for Building Software on Various Platforms☆17May 12, 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 6 months ago
- ☆41Jul 8, 2023Updated 2 years ago
- Code used in paper for G-loop mining.☆22Feb 23, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆31Dec 12, 2024Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆55Jul 22, 2025Updated 10 months ago
- Pembrolizumab-like Antibody Hallucination using AlphaFold2☆16Nov 10, 2023Updated 2 years ago
- Python rich client for visual protein Sequence to Structure Analysis☆20Mar 31, 2026Updated last month
- ☆20Jan 9, 2023Updated 3 years ago
- ☆39Jun 17, 2025Updated 11 months ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago