LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals
☆44Sep 22, 2025Updated 9 months ago
Alternatives and similar repositories for achemso
Users that are interested in achemso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python library to determine the point group of molecular geometries☆14May 22, 2025Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆58Jun 10, 2026Updated 3 weeks ago
- ☆11Aug 29, 2022Updated 3 years ago
- Personal functions for making figures in Python☆20Jun 27, 2026Updated last week
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated 2 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆47Aug 24, 2024Updated last year
- ☆32Jan 4, 2026Updated 6 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- A Typst package for visualizing Neural Network Architectures with high-quality diagrams.☆72Dec 8, 2025Updated 6 months ago
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated last year
- Building MD simulations for polymer electrolyte system☆14Oct 6, 2025Updated 8 months ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- ☆13Jul 24, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- ☆13Jan 4, 2024Updated 2 years ago
- Lennard-Jones Molecular Dynamics for beginners☆15Sep 20, 2021Updated 4 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆29Feb 14, 2025Updated last year
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- A comprehensive (SI) units package for LaTeX☆404Jun 22, 2026Updated last week
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 3 months ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- 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
- 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.
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 8 months ago
- A python script to plot an energy level diagram from an input file.☆30Nov 24, 2020Updated 5 years ago
- python wrapper for fdmnes data input/output☆14Feb 16, 2026Updated 4 months ago
- Driver-independent color extensions for LaTeX and pdfLaTeX☆38Dec 14, 2024Updated last year
- How to make images for publication using VMD☆46May 5, 2021Updated 5 years ago
- Times Square Sampling☆13Feb 24, 2023Updated 3 years ago
- ORCA Python Interface☆174Jun 17, 2026Updated 2 weeks ago
- Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation☆24Updated this week
- Python interface for VASP☆98Jun 22, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆86Jun 22, 2026Updated last week
- Lesson about time complexity and big O notation☆12Sep 13, 2018Updated 7 years ago
- mdlabbook is a markdown-format lab notebook☆11Jan 11, 2017Updated 9 years ago
- ☆10Aug 20, 2023Updated 2 years ago
- A package to process electrochemical results from atomistic simulations.☆17Jun 5, 2026Updated last month
- TDL☆11Mar 27, 2015Updated 11 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆33Nov 30, 2024Updated last year