Personal functions for making figures in Python
☆19Mar 24, 2026Updated 2 weeks ago
Alternatives and similar repositories for pyplot-perso
Users that are interested in pyplot-perso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 7 months ago
- Learn molecular simulation with Python☆17Dec 31, 2024Updated last year
- GROMACS input files☆19May 17, 2023Updated 2 years ago
- LAMMPS input from lammpstutorials.github.io☆58Oct 1, 2025Updated 6 months ago
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25May 3, 2025Updated 11 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 2 months ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆19Aug 19, 2024Updated last year
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- ☆16Dec 17, 2024Updated last year
- Generate PEG topology for GROMACS and LAMMPS☆25Aug 19, 2024Updated last year
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆20Aug 14, 2020Updated 5 years ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 3 years ago
- Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling☆19Dec 15, 2025Updated 3 months 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.
- LAMMPS tutorials for both beginners and advanced users☆138Oct 2, 2025Updated 6 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD☆36Jan 26, 2023Updated 3 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆14Nov 19, 2019Updated 6 years ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆23Apr 1, 2026Updated last week
- Rethinking Metadynamics: From Bias Potentials to Probability Distributions☆14Sep 18, 2023Updated 2 years ago
- a library for massive analyses of internal voids in biomolecules and ligand transport through them☆10Mar 10, 2026Updated last month
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆72Jul 16, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Tight-Binding Modeling for Materials at Mesoscale☆14Jan 19, 2018Updated 8 years ago
- LAMMPS inputs and data files☆300Oct 9, 2024Updated last year
- A Set of Tutorials for the LAMMPS Simulation Package☆42Oct 1, 2025Updated 6 months ago
- Tinker-FFE: Molecular Engineering GUI for Tinker☆11Feb 4, 2026Updated 2 months ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 5 months ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 3 months ago
- Course material for an undergraduate quantum chemistry lab class☆54Aug 28, 2024Updated last year
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- 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.
- A Molecular Benchmark for Disease and Target Based Machine Learning☆25Feb 9, 2022Updated 4 years ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆25Oct 19, 2022Updated 3 years ago
- Python program for modelling and simulating polymers.☆41Updated this week
- LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals☆42Sep 22, 2025Updated 6 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 6 years ago
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated last month
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆311Nov 17, 2025Updated 4 months ago