LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals
☆42Sep 22, 2025Updated 5 months ago
Alternatives and similar repositories for achemso
Users that are interested in achemso are comparing it to the libraries listed below
Sorting:
- ☆11Aug 29, 2022Updated 3 years ago
- Python library to determine the point group of molecular geometries☆11May 22, 2025Updated 9 months ago
- ☆13Feb 11, 2026Updated 3 weeks ago
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jan 21, 2026Updated last month
- quick analysis of vasp calculation☆38Jun 7, 2024Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆43Aug 24, 2024Updated last year
- Personal functions for making Pyplot Python figures☆20Feb 25, 2026Updated last week
- Make valid molecular graphs!☆23Mar 8, 2024Updated last year
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- A Typst package for visualizing Neural Network Architectures with high-quality diagrams.☆52Dec 8, 2025Updated 2 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Dec 2, 2025Updated 3 months ago
- Machine Learned Interatomic Potential Tools☆24Feb 23, 2026Updated last week
- Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation☆23Dec 19, 2023Updated 2 years ago
- A python script to plot an energy level diagram from an input file.☆30Nov 24, 2020Updated 5 years ago
- Python interface for VASP☆90Updated this week
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Tutorials showcasing various capabilities of Libra☆24Feb 15, 2026Updated 2 weeks ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆66Aug 27, 2021Updated 4 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆31Nov 30, 2024Updated last year
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆33Feb 23, 2026Updated last week
- ORCA Python Interface☆128Updated this week
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Jan 30, 2020Updated 6 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆42Oct 17, 2025Updated 4 months ago
- ☆30Jan 4, 2026Updated 2 months ago
- Python API for the extended tight binding program package☆125Sep 3, 2024Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆77Feb 15, 2026Updated 2 weeks ago
- python workflow toolkit☆43Dec 23, 2025Updated 2 months ago
- Modelling the Multiwavelength Variability of Mrk-335 using Gaussian processes☆12May 30, 2022Updated 3 years ago
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- Library for training Gaussian Processes on Molecules☆36Jan 28, 2022Updated 4 years ago
- ASE interface for fully constant potential with VASP☆42Oct 14, 2024Updated last year
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- A suite of computational materials science tools.☆142Apr 3, 2024Updated last year
- A class for conversion between zmatrices and cartesian coordinates☆34May 5, 2020Updated 5 years ago
- How to make images for publication using VMD☆43May 5, 2021Updated 4 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆42Feb 1, 2026Updated last month
- Python implementation of various 2D and 3D compactness measures.☆10Aug 17, 2022Updated 3 years ago