User friendly molecular dynamics simulation combining Modeller, OpenMM and Google Colab: A complete guide
☆27Aug 8, 2026Updated last month
Alternatives and similar repositories for ColabMDA
Users that are interested in ColabMDA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆71Mar 16, 2025Updated last year
- ☆15May 17, 2024Updated 2 years ago
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆49Oct 6, 2023Updated 2 years ago
- Tutoriales de Quimioinformática aplicada al diseño de fármacos☆22Mar 28, 2025Updated last year
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated 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.
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Sep 1, 2026Updated 3 weeks ago
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆66Jun 23, 2026Updated 2 months ago
- Cloud-based Drug Binding Structure Prediction☆51Aug 27, 2026Updated 3 weeks ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆52Feb 1, 2025Updated last year
- ☆19Apr 13, 2026Updated 5 months ago
- Google Colaboratory Notebooks for Computational Biochemistry☆21Jun 15, 2025Updated last year
- ☆14Jun 23, 2025Updated last year
- ☆18Sep 16, 2024Updated 2 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆65Mar 23, 2026Updated 5 months 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.
- ☆50Jul 17, 2026Updated 2 months ago
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆41Jun 8, 2025Updated last year
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆28Apr 25, 2026Updated 4 months ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆28Aug 25, 2026Updated 3 weeks ago
- PyChem-Pro: 100% Python API, fast, flexible & programmable molecular viewer - 2D and 3D, molecular docking pose viewer, cheminformatics l…☆360Updated this week
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆25Aug 11, 2026Updated last month
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆30May 7, 2026Updated 4 months 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
- Official repo of the Biomeccanica Multiscala course (prof. Marco A. Deriu) - Master Degree in Biomedical engineering, Politecnico di Tori…☆12Jan 2, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Tools for molecular Docking☆28Jul 24, 2025Updated last year
- ☆52Jun 15, 2026Updated 3 months ago
- Let LLM run your MDs.☆267Sep 18, 2025Updated last year
- Cheminformatics package from the Miranda-Quintana group☆22Jun 20, 2026Updated 3 months ago
- ☆15Apr 30, 2025Updated last year
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 9 months ago
- A toolbox for Alphafold-related workflows☆23Sep 7, 2026Updated 2 weeks ago
- A Multi-Task Generative model for Structure-Based Drug Design☆69Sep 9, 2026Updated last week
- Molecular filtering for drug discovery.☆78Sep 9, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Cloud-based molecular docking for everyone☆12Jul 1, 2024Updated 2 years ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆86Nov 18, 2025Updated 10 months ago
- Molecular Annotation and Recognition for Curating Unravelled Structures☆31Jan 15, 2026Updated 8 months ago
- USER-MESO package for LAMMPS☆13Oct 9, 2016Updated 9 years ago
- Collective variables by artificial neural networks☆11Mar 16, 2022Updated 4 years ago
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated last year
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆21Mar 30, 2025Updated last year