A python module to plot secondary structure schemes
☆25Mar 18, 2026Updated this week
Alternatives and similar repositories for secstructartist
Users that are interested in secstructartist are comparing it to the libraries listed below
Sorting:
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated last month
- ☆16Jul 26, 2024Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Feb 27, 2026Updated 3 weeks ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆38Feb 27, 2026Updated 3 weeks ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Examples and data for performing path similarity analysis (PSA).☆17Oct 23, 2015Updated 10 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆13May 6, 2025Updated 10 months ago
- Visual Interactive Analysis of Molecular Dynamics☆319Updated this week
- ☆18Oct 30, 2023Updated 2 years ago
- Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week☆31Sep 27, 2023Updated 2 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- Machine Learning dataset splitting for life sciences.☆36Jul 3, 2024Updated last year
- OpenMM plugin to interface with PLUMED☆77Jan 15, 2026Updated 2 months ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆15Mar 11, 2026Updated last week
- ☆15Apr 7, 2022Updated 3 years ago
- ☆21Dec 11, 2024Updated last year
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆44Mar 14, 2026Updated last week
- PyPEF – Pythonic Protein Engineering Framework☆14Updated this week
- Printing text using protein structures☆14Aug 9, 2021Updated 4 years ago
- ☆32Oct 19, 2023Updated 2 years ago
- A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and che…☆18Aug 13, 2021Updated 4 years ago
- This repo contains the codes to run solvation free energy prediction.☆12May 1, 2022Updated 3 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 3 years ago
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- Software package for FEP☆22Mar 3, 2026Updated 2 weeks ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Oct 24, 2025Updated 4 months ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆220Mar 4, 2026Updated 2 weeks ago
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Aug 5, 2025Updated 7 months ago
- Free Parametrization for Small Molecules☆50Feb 18, 2026Updated last month
- Python program for modelling and simulating polymers.☆41Feb 24, 2026Updated 3 weeks ago
- ☆96Oct 14, 2025Updated 5 months ago
- PyEMMA Jupyter Notebooks☆14Jan 28, 2021Updated 5 years ago
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- ☆14May 13, 2020Updated 5 years ago
- Molecular docking with Alchemical Interaction Grids☆30Nov 6, 2025Updated 4 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆115Feb 9, 2026Updated last month
- a Python program for running QM/MM simulations using Q-Chem and OpenMM☆16Apr 24, 2022Updated 3 years ago
- P2PXML: Deep Geometric Framework to Predict Antibody-Antigen Binding Affinity (Journal of Structural Biology)☆13Feb 24, 2026Updated 3 weeks ago