☆24Mar 21, 2024Updated 2 years ago
Alternatives and similar repositories for Molecular-Dynamics
Users that are interested in Molecular-Dynamics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Jupyter Notebooks for Molecular Dynamics☆44Jul 13, 2025Updated 11 months ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- ☆18Sep 30, 2025Updated 9 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆21Oct 26, 2025Updated 8 months ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- 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.
- Plotting graphs from XVGs generated by GROMACS in Python☆36Dec 16, 2025Updated 6 months ago
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 4 years ago
- Resources for Learning Cheminformatics with the RDKit☆19Apr 7, 2019Updated 7 years ago
- ☆12Sep 4, 2019Updated 6 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Jul 2, 2024Updated 2 years ago
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆13Jul 22, 2016Updated 9 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Cloud-based molecular simulations for everyone☆495Jan 20, 2026Updated 5 months ago
- ☆126Feb 4, 2026Updated 5 months ago
- ☆38Feb 14, 2022Updated 4 years ago
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 14 years ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- A collection of random and not so random online learning materials for biology, computation, and bioinformatics☆25Jul 30, 2017Updated 8 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Apr 16, 2026Updated 2 months ago
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 4 months ago
- This plugin enables fast translations using deepl.com☆10Nov 10, 2020Updated 5 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.
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆28Apr 6, 2022Updated 4 years ago
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- SODAR Core: A Django-based framework for building scientific data management web apps☆13Jun 25, 2026Updated last week
- DockCADD An automated computational framework for molecular docking☆15Mar 31, 2026Updated 3 months ago
- REEV: Explanation and Evaluation of Variants☆11Apr 27, 2026Updated 2 months ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated last month
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆35Jan 6, 2026Updated 5 months ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆34Oct 15, 2020Updated 5 years ago
- Comprehensive Python client for the Uniprot REST API☆57Oct 6, 2025Updated 8 months 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.
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Oct 22, 2025Updated 8 months ago
- Detect and characterize binding pockets from molecular simulations.☆19Mar 17, 2026Updated 3 months ago
- Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS☆21Jun 24, 2026Updated last week
- ☆11Oct 18, 2019Updated 6 years ago
- Package for reading, analysis and visualization of metadynamics HILLS☆41Nov 28, 2023Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- ☆14May 15, 2024Updated 2 years ago