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☆10Jun 10, 2026Updated 3 weeks ago
- ☆15Dec 4, 2023Updated 2 years ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆46Oct 2, 2025Updated 9 months ago
- ☆54Jan 17, 2026Updated 5 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆144Jul 16, 2025Updated 11 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.
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆61Dec 9, 2024Updated last year
- ☆34Mar 19, 2023Updated 3 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆98Jul 15, 2025Updated 11 months ago
- ☆39Jun 24, 2024Updated 2 years ago
- Cloud-based Drug Binding Structure Prediction☆48Feb 9, 2026Updated 4 months ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 11 months ago
- ☆12Jul 31, 2020Updated 5 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- ☆13Jul 5, 2024Updated last year
- ☆84Jan 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)☆56Jun 19, 2025Updated last year
- No description yet.☆17Aug 8, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆46Jun 26, 2024Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- ☆18Aug 5, 2023Updated 2 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☆30Dec 2, 2024Updated last year
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- ☆63Sep 18, 2025Updated 9 months ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- 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.
- ☆60May 9, 2025Updated last year
- ☆17Nov 19, 2023Updated 2 years ago
- ☆15Jun 7, 2022Updated 4 years ago
- Uni-Dock: a GPU-accelerated molecular docking program☆301Jun 22, 2026Updated last week
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- ☆58Dec 15, 2025Updated 6 months ago
- ☆74Jul 13, 2025Updated 11 months ago