PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly compare structures, explore functional regions of proteins, and generate clear results, even when working with hundreds or thousands of models.
☆19Feb 22, 2026Updated 5 months ago
Alternatives and similar repositories for PocketMaster
Users that are interested in PocketMaster are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- Python package for handling ModelCIF mmCIF and BinaryCIF files☆14Jul 24, 2026Updated 2 weeks ago
- ☆13May 24, 2026Updated 2 months ago
- App for serotonergic targets☆12Jan 8, 2026Updated 7 months ago
- Generate Simple Pharmacophore Models with RDKit☆49Mar 10, 2026Updated 5 months 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.
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 4 months ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 8 months ago
- DynamicGT: a dynamic-aware geometric transformer model to predict protein binding interfaces in flexible and disordered regions☆16Jun 18, 2026Updated last month
- A fast sampling and analysis tool for biomolecules☆18Aug 2, 2026Updated last week
- Software for automated molecular dynamics simulation☆30Mar 5, 2026Updated 5 months ago
- mcp server for pymol for conversational protein display☆15Updated this week
- Estimate PTM hotspots in protein sequence alignments☆16Feb 6, 2019Updated 7 years ago
- ☆19Feb 27, 2026Updated 5 months ago
- ☆51Jun 15, 2026Updated last month
- 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.
- A comprehensive resource of binding sites on human surface proteins with binder seeds☆15Feb 26, 2025Updated last year
- Modelling protein conformational landscape with Alphafold☆61Aug 29, 2025Updated 11 months ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆26Oct 18, 2025Updated 9 months ago
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆24Jul 26, 2026Updated 2 weeks ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated 2 years ago
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 4 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated 10 months ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 6 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆17Jan 5, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆22Oct 26, 2025Updated 9 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- LIVIA (Local Interaction VIsualization and Analysis) — Analyze and visualize protein interaction interfaces from structure predictions. B…☆24Updated this week
- Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis☆20Updated this week
- Biological Relationships - Biorels data preparation infrastructure for biology and drug discovery☆16May 19, 2025Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆19Jun 3, 2025Updated last year
- Supernova's MM-PBSA binding free energy calculation tool.☆13Jul 13, 2026Updated 3 weeks 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.
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆18Nov 19, 2024Updated last year
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 28, 2026Updated last week
- Tools for molecular Docking☆28Jul 24, 2025Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- ☆55Apr 24, 2026Updated 3 months ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 5 months ago