Constant pH simulation with OpenMM
☆19Mar 10, 2026Updated 2 months ago
Alternatives and similar repositories for openmm-cph
Users that are interested in openmm-cph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for the prediction of DEER and PRE data from conformational ensembles.☆14May 6, 2025Updated last year
- The OpenMM Cookbook and Tutorials☆57Apr 28, 2026Updated 3 weeks ago
- An application for configuring and running simulations with OpenMM☆81Oct 30, 2025Updated 6 months ago
- ☆52Apr 1, 2025Updated last year
- a quick primer on making prettier (and more impactful) plots☆14Sep 27, 2015Updated 10 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.
- ☆20Jan 9, 2023Updated 3 years ago
- Package for consistent reporting of relative free energy results☆42Updated this week
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆17Apr 10, 2026Updated last month
- ☆16Jul 28, 2022Updated 3 years ago
- a python package for the interfacial analysis of molecular simulations☆95May 10, 2026Updated 2 weeks ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆368Apr 27, 2026Updated 3 weeks ago
- Machine learning workflows for the OpenADMET project☆50Updated this week
- A convolutional neural network model to predict spatial charge map (SCM) score, a molecular dynamics simulation-based model to predict an…☆32Oct 6, 2022Updated 3 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 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.
- Repository for the 2024 OpenFE industry benchmark efforts☆39Oct 3, 2025Updated 7 months ago
- Experiments with expanded ensembles to explore chemical space☆199Oct 28, 2025Updated 6 months ago
- Integrating Molecular Simulation and Experimental Data☆27Sep 19, 2021Updated 4 years ago
- Useful Collective Variables for OpenMM☆18May 9, 2024Updated 2 years ago
- Protein ribbon plots implemented in Julia using Makie☆25Apr 20, 2026Updated last month
- A set of tools for analyzing molecular dynamics simulations☆13May 12, 2026Updated last week
- ☆64Dec 10, 2025Updated 5 months ago
- A drop-in replacement for Rosetta Relax☆28Jan 30, 2026Updated 3 months ago
- nanobody melting temperature prediction using protein embeddings☆12Feb 24, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python based scripts for D3R grand challenge 2 analysis☆16Apr 25, 2017Updated 9 years ago
- A comprehensive toolkit for predicting free energies☆60Jan 10, 2025Updated last year
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 4 years ago
- An interface for generating simple crystal structures for molecular dynamics simulations.☆17Aug 25, 2025Updated 8 months ago
- Times Square Sampling☆13Feb 24, 2023Updated 3 years ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆355Mar 21, 2026Updated 2 months ago
- Automated tools for submitting molecules to QCFractal☆26May 14, 2026Updated last week
- ☆23Aug 25, 2023Updated 2 years ago
- PLMFit platform for TL on PLMs☆21Aug 13, 2025Updated 9 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Automatic Mutual Information Noise Omission☆16Oct 8, 2024Updated last year
- ELViM is a method for visualizing the energy landscapes of biomolecules simulations.☆13Aug 18, 2025Updated 9 months ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆40Updated this week
- protein folding app running on modal☆29Mar 19, 2026Updated 2 months ago
- A computational method to optimize degenerate codons for synthesizing an informed combinatorial mutagenesis protein variant library☆17Feb 18, 2025Updated last year
- ☆16Jan 13, 2026Updated 4 months ago