☆11Mar 28, 2026Updated 2 months ago
Alternatives and similar repositories for ternviz
Users that are interested in ternviz are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 6 months ago
- Quick and dirty protonation☆18Jun 15, 2022Updated 3 years ago
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆15Jul 6, 2023Updated 2 years ago
- 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.
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- N-Dimensional MD engine with symmetry group constraints written in C☆49Jul 24, 2024Updated last year
- ☆23May 8, 2026Updated last month
- ☆15Jun 1, 2026Updated last week
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 4 years ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- Natural language computational chemistry command line interface.☆46Feb 4, 2023Updated 3 years ago
- implementation of Franck Farris recipes to produce wallpaper patterns☆10Mar 26, 2024Updated 2 years ago
- SAPT energy calculator built using MDAnalysis and Psi4☆15May 26, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Official Repository of the Optados code☆25Nov 14, 2025Updated 6 months ago
- VMD Plugin and associated scripts to build lignin structures from topological specifications☆17Jul 17, 2025Updated 10 months ago
- OpenFF NAGL☆21Updated this week
- A Python 3 script to visualise atomic displacement using the Vesta file format☆24Apr 19, 2020Updated 6 years ago
- An open set of tools for automating tasks relating to small molecules☆70Oct 27, 2021Updated 4 years ago
- pKa estimates for proteins using an ensemble approach☆30Jul 11, 2025Updated 11 months ago
- Files and utilities for protein-emoji☆27Nov 4, 2022Updated 3 years ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆21Jun 30, 2025Updated 11 months ago
- Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of co…☆19Feb 10, 2026Updated 4 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆20Aug 25, 2021Updated 4 years ago
- A mini-course offered to Undergrad chemistry students☆21Dec 30, 2021Updated 4 years ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆13Oct 3, 2020Updated 5 years ago
- User Guide for MDAnalysis☆31Jun 5, 2026Updated last week
- Utilities for interacting with PubChem☆17Feb 11, 2015Updated 11 years ago
- Simple Hartree-Fock codes in Python, C++, fortran☆15Mar 3, 2018Updated 8 years ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 3 years ago
- Calculation of water/solvent partition coefficients with Gromacs.☆29Oct 14, 2024Updated last year
- Analyze correlated motions in MD trajectories with only a few lines of Python.☆33Jan 17, 2018Updated 8 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- ☆13Mar 21, 2021Updated 5 years ago
- ☆13May 24, 2026Updated 3 weeks ago
- This is material to complement the FutureLearn MOOC on "Defensive programming and debugging", as well as for training purposes.☆14May 8, 2025Updated last year
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- Automated tools for submitting molecules to QCFractal☆26Updated this week