💊 Cutting-edge automation of computational drug discovery pipelines
☆35Jun 14, 2026Updated 2 weeks ago
Alternatives and similar repositories for DrugHunting
Users that are interested in DrugHunting are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14May 15, 2024Updated 2 years ago
- ☆34Apr 16, 2026Updated 2 months ago
- PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.☆27Updated this week
- ☆12Jun 19, 2018Updated 8 years ago
- Fast protein backbone flexibility prediction model☆35Jan 4, 2026Updated 5 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.
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- programs and scripts for molecular structure analysis☆12Mar 26, 2026Updated 3 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 8 months ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 4 years ago
- ☆46Jan 10, 2026Updated 5 months ago
- Exercises on Python coding☆74Jul 7, 2022Updated 3 years ago
- a universal molecular interaction modeling platform based on AlphaFold3, supporting structure prediction and analysis for various recepto…☆49Nov 20, 2025Updated 7 months ago
- Flow matching for accelerated simulation of atomic transport☆67Oct 17, 2025Updated 8 months ago
- PyMOL Plugin for displaying polar contacts☆20Mar 11, 2019Updated 7 years ago
- 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.
- Apt, Brew, and Choco dependencies in one action. Easy as ABC!☆15Nov 28, 2021Updated 4 years ago
- TUI Web Browser☆51Updated this week
- Modular deep learning framework for chemical reactions☆73May 12, 2026Updated last month
- SE(3) Equivariant Flow Matching for Property-Guided Molecule Generation.☆60Jun 2, 2026Updated 3 weeks ago
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 2 months ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53May 30, 2025Updated last year
- PandaDock: Physics based Molecular Docking with GNN Scoring☆98Feb 25, 2026Updated 4 months ago
- Supplementary scripts for Z1+ users☆18Dec 12, 2025Updated 6 months ago
- This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Per…☆11Aug 2, 2018Updated 7 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.
- ☆46May 4, 2026Updated last month
- The RDKit nodes for the KNIME Analytics Platform☆27Nov 6, 2025Updated 7 months ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- ⊗ React-first XR development kit☆33Updated this week
- ☆10Feb 25, 2021Updated 5 years ago
- SST2 implementation in openmm☆22Updated this week
- Sample code for Fast Sinkhorn Filters - from CVPR 2021☆19Jun 1, 2021Updated 5 years ago
- Molecular conformer generation using enhanced sampling methods☆20Jul 28, 2025Updated 11 months ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 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.
- ☆52Mar 31, 2026Updated 2 months ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 7 months ago
- ☆35Nov 10, 2025Updated 7 months ago
- ☆26May 16, 2026Updated last month
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆104Jun 10, 2026Updated 2 weeks ago
- Slides + Iframe = sliFrame☆56Apr 6, 2025Updated last year