NAMD's psfgen + Python improvements
☆16Sep 1, 2024Updated last year
Alternatives and similar repositories for psfgen
Users that are interested in psfgen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Jun 15, 2019Updated 7 years ago
- A unified and modular interface to homology modelling software☆12Sep 27, 2023Updated 2 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆15Jan 7, 2025Updated last year
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 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.
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Oct 23, 2017Updated 8 years ago
- FiberApp is a software for tracking and analyzing biomacromolecules, polymers, filaments and fibrous objects☆13Jan 7, 2019Updated 7 years ago
- A python script for PyMol to make protein-ligand interaction images.☆18Apr 1, 2025Updated last year
- WebGL-based 3D object viewer with instant search - updated for cells☆16Dec 12, 2013Updated 12 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- NAMD QM/MM Tutorial on Free Energy Profile of Reaction Mechanisms☆16Sep 14, 2018Updated 7 years ago
- pKa estimates for proteins using an ensemble approach☆30Jun 24, 2026Updated last week
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 4 years ago
- 『Pythonで動かしてはじめる量子化学計算』(コロナ社,2024)☆24Jun 5, 2024Updated 2 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.
- Jupyter Notebooks for Molecular Dynamics☆44Jul 13, 2025Updated 11 months ago
- ☆17Apr 10, 2024Updated 2 years ago
- development repository for PyInteraph2☆23Jun 18, 2026Updated 2 weeks ago
- An open set of tools for automating tasks relating to small molecules☆69Oct 27, 2021Updated 4 years ago
- TUPÃ: Electric field analyses for molecular simulations☆25Jun 12, 2026Updated 2 weeks ago
- This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2…☆16May 26, 2026Updated last month
- OpenCV related image analysis☆13Jul 16, 2019Updated 6 years ago
- A structure checker in python☆25Nov 25, 2024Updated last year
- 🍽 Lawrence, Kansas curbside takeout and delivery for local COVID-19 impacted businesses☆16Dec 8, 2022Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Python Cloud Synchronization Library☆27Jan 5, 2023Updated 3 years ago
- Using ESP32 and ESP-IDF to control a garage door. Also uses the inside hall sensor to determine the state of the door (open or close).☆10Jun 19, 2020Updated 6 years ago
- ☆33Sep 23, 2023Updated 2 years ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆25Oct 18, 2019Updated 6 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Apr 28, 2021Updated 5 years ago
- Windows 聚焦壁纸 | Windows Focus Wallpaper☆20Mar 31, 2025Updated last year
- portFFT is a library implementing Fast Fourier Transforms using SYCL☆19Mar 1, 2025Updated last year
- ☆11Jul 8, 2023Updated 2 years ago
- Codes to use funnel-metadynamics and funnel metadynamics automated protocol☆31Dec 19, 2021Updated 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.
- A script library for use with the Drafts app.☆11Oct 30, 2021Updated 4 years ago
- ☆15Jan 21, 2023Updated 3 years ago
- Julia implementation of flash-attention operation for neural networks.☆11May 31, 2023Updated 3 years ago
- picgo cloudflare-r2 stroage bucket plugin☆33Apr 20, 2026Updated 2 months ago
- spotify cli for the official client via dbus☆13May 5, 2020Updated 6 years ago
- ☆19Apr 20, 2026Updated 2 months ago
- ☆17Apr 22, 2020Updated 6 years ago