Cloud-based molecular docking for everyone
☆12Jul 1, 2024Updated 2 years ago
Alternatives and similar repositories for AutoDock-Notebooks
Users that are interested in AutoDock-Notebooks are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆18Jun 25, 2024Updated 2 years ago
- Tools for molecular Docking☆28Jul 24, 2025Updated last year
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28May 4, 2026Updated 3 months ago
- ☆19Feb 27, 2026Updated 5 months ago
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 5 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated last month
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 5 months ago
- Cheminformatics package from the Miranda-Quintana group☆22Jun 20, 2026Updated last month
- 💊 Cutting-edge automation of computational drug discovery pipelines☆37Jun 14, 2026Updated 2 months ago
- ☆13Oct 9, 2024Updated last year
- Prediction of the activity of molecules/ligands that have been tested to bind or not bind to Beta-Lactamases using machine learning cl…☆10Mar 5, 2026Updated 5 months ago
- Slides + Iframe = sliFrame☆54Apr 6, 2025Updated last year
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Dec 10, 2025Updated 8 months ago
- collection of awk scripts to process or analyze data/csv files☆18Aug 4, 2019Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- In process work on active learning tutorials☆10Feb 19, 2024Updated 2 years ago
- Repository with materials for the Speeding Up Science Workshops at UC Davis☆10Oct 31, 2019Updated 6 years ago
- Tutoriales de Quimioinformática aplicada al diseño de fármacos☆21Mar 28, 2025Updated last year
- The home of the SMARTS-RX project☆38Aug 6, 2026Updated last week
- MAGPIE☆17May 5, 2024Updated 2 years ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆44Apr 5, 2024Updated 2 years ago
- End-to-end ML workflow based on the talk I gave in CHE596.☆12Jul 26, 2024Updated 2 years ago
- Haplotype-aware Hidden Markov Models for detecting CNVs from bulk RNA-seq☆13Apr 2, 2024Updated 2 years ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆80Dec 30, 2024Updated last year
- 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.
- Molecular Dynamics Sub Sampler☆10Jul 24, 2024Updated 2 years ago
- ☆13Jul 15, 2024Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33May 8, 2022Updated 4 years ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 9 months ago
- A guide to using the Python scRNA-seq analysis package Scanpy from R☆15Apr 27, 2020Updated 6 years ago
- JavaScript artefacts and deployment documents for JalviewJS☆16Jan 24, 2025Updated last year
- ☆15May 17, 2024Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆39Mar 19, 2025Updated last year
- ☆18Sep 16, 2024Updated last year
- 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.
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆83Mar 18, 2026Updated 4 months ago
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 6 years ago
- ☆15Jan 27, 2025Updated last year
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated 2 years ago
- This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaborat…☆93Jun 3, 2025Updated last year
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆19Mar 27, 2018Updated 8 years ago
- A fragment-based molecular assembly toolkit☆52Updated this week