DeeplyTough: Learning Structural Comparison of Protein Binding Sites
☆168Apr 7, 2023Updated 3 years ago
Alternatives and similar repositories for DeeplyTough
Users that are interested in DeeplyTough are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆31Dec 30, 2022Updated 3 years ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆107Feb 25, 2021Updated 5 years ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆58Mar 9, 2023Updated 3 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆464Sep 11, 2026Updated last month
- Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows☆156Nov 3, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆140Nov 6, 2022Updated 3 years ago
- HTMD: Programming Environment for Molecular Discovery☆277Updated this week
- Interaction Fingerprints for protein-ligand complexes and more☆548Updated this week
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Open Drug Discovery Toolkit☆472Updated this week
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆722Jul 3, 2026Updated 3 months ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Dec 30, 2018Updated 7 years ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆77Aug 23, 2022Updated 4 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated 2 years ago
- 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 surface-based deep learning approach for the prediction of ligand binding sites on proteins☆47Apr 22, 2023Updated 3 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆248Updated this week
- A deep learning framework for molecular docking☆989Jun 29, 2026Updated 3 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆510Mar 9, 2026Updated 7 months ago
- Benchmarks for generative chemistry☆536Feb 11, 2024Updated 2 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆92Jul 11, 2023Updated 3 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆780Jun 19, 2024Updated 2 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 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.
- Graph neural networks for molecular design.☆380Mar 11, 2023Updated 3 years ago
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 11 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆27Dec 31, 2021Updated 4 years ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆107Dec 7, 2023Updated 2 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Jun 3, 2020Updated 6 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆409Sep 6, 2026Updated last month
- C-library for calculating Solvent Accessible Surface Areas☆208May 31, 2026Updated 4 months ago
- Graph-based genetic algorithm☆95Jun 15, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Molecule Validation and Standardization☆187Apr 16, 2020Updated 6 years ago
- Deep generative models of voxel grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆373Dec 8, 2021Updated 4 years ago
- Novel molecules from a reference shape!☆83Jan 30, 2024Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆136Jul 25, 2024Updated 2 years ago
- DeltaVina scoring function☆43Apr 7, 2017Updated 9 years ago
- ☆26Dec 4, 2019Updated 6 years ago