Fast and accurate molecular docking with an AI pose scoring function
☆42Feb 8, 2024Updated 2 years ago
Alternatives and similar repositories for plantain
Users that are interested in plantain are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated 2 months ago
- ☆15Dec 4, 2023Updated 2 years ago
- ☆54Jan 17, 2026Updated 8 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆47Oct 2, 2025Updated 11 months ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆145Jul 16, 2025Updated last year
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆62Dec 9, 2024Updated last year
- ☆34Mar 19, 2023Updated 3 years ago
- Cloud-based Drug Binding Structure Prediction☆51Aug 27, 2026Updated 3 weeks ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆60Sep 3, 2026Updated 3 weeks ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- ☆12Jul 31, 2020Updated 6 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 30, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Plausibility checks for generated molecule poses.☆405Sep 17, 2026Updated last week
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- ☆12Jul 5, 2024Updated 2 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- ☆86Jan 8, 2024Updated 2 years ago
- 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
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆57Jun 19, 2025Updated last year
- No description yet.☆19Aug 8, 2024Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years 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.
- ☆27May 15, 2019Updated 7 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆46Jun 26, 2024Updated 2 years ago
- Official repository for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Scie…☆103Jul 15, 2025Updated last year
- ☆18Aug 5, 2023Updated 3 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆32Dec 2, 2024Updated last year
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Jun 30, 2026Updated 2 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆15Jun 7, 2022Updated 4 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- ☆41Jun 24, 2024Updated 2 years ago
- ☆63Sep 18, 2025Updated last year
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- ☆60Sep 17, 2026Updated last week