Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.
☆10Sep 10, 2021Updated 5 years ago
Alternatives and similar repositories for q6
Users that are interested in q6 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆77Aug 13, 2026Updated 2 months ago
- Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.☆16Sep 17, 2026Updated last month
- ☆12Jan 15, 2016Updated 10 years ago
- ☆12Dec 6, 2025Updated 10 months ago
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 6 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 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated 3 weeks ago
- Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…☆28Sep 25, 2026Updated 3 weeks ago
- ☆16Mar 5, 2026Updated 7 months ago
- ☆19Aug 18, 2026Updated 2 months ago
- ☆14Sep 4, 2021Updated 5 years ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆20Aug 14, 2020Updated 6 years ago
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆34Jun 3, 2025Updated last year
- ☆16Dec 24, 2016Updated 9 years ago
- ☆38Feb 14, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Oct 6, 2026Updated last week
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆17Oct 29, 2025Updated 11 months ago
- ☆19Aug 31, 2025Updated last year
- Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with atte…☆19Sep 22, 2025Updated last year
- a Python library and CLI for the molecular dynamics simulation package Q☆21Nov 29, 2023Updated 2 years ago
- A graduate-level elective course: Python Programming for Life Science Students☆10Mar 26, 2026Updated 6 months ago
- ☆13Jul 22, 2025Updated last year
- A collection of cheminformatics scripts that use rdkit☆73Jul 1, 2022Updated 4 years 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.
- An experimental package for deep learning for molecular docking☆21Mar 21, 2020Updated 6 years ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 5 years ago
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- Q6 Repository -- EVB, FEP and LIE simulator.☆35Nov 7, 2023Updated 2 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆13Oct 5, 2026Updated 2 weeks ago
- Scripts for running alchemical, free-energy perturbation simulations using Gromacs☆18Feb 27, 2018Updated 8 years ago
- Open Source Antibiotics Series 2☆10Jan 23, 2023Updated 3 years ago
- Sire Molecular Simulations Framework☆69Updated this week
- Protocol to redesign enzyme sequences for stability and expression followed in Krasnow et. al. 2025 (). Developed using ProteinMPNN (Daup…☆21May 11, 2026Updated 5 months 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.
- Perform operations on chemical structures using Python.☆13Mar 19, 2026Updated 7 months ago
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 2 weeks ago
- ☆32Jul 8, 2026Updated 3 months ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 8 months ago
- mcp server for pymol for conversational protein display☆15Updated this week
- ☆68Sep 18, 2026Updated last month
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Apr 27, 2023Updated 3 years ago