Tools for the creation of reaction energy diagrams
☆84May 29, 2026Updated last month
Alternatives and similar repositories for chem-diagrams
Users that are interested in chem-diagrams are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- zeo++ fork of the LSMO☆25Dec 19, 2022Updated 3 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 2 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆29May 8, 2025Updated last year
- PSA simulation code☆21Jan 27, 2023Updated 3 years ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python-based localized-orbital Density Functional Theory code for educational purposes.☆21May 30, 2026Updated last month
- Simulates molecular adsorption and diffusion on nanoporous materials.☆19Apr 28, 2026Updated 2 months ago
- Using OCR, process handwritten images from OneDrive and convert to text/markdown files.☆12Jun 16, 2022Updated 4 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Licensed under Academic Non-Commercial Share-Alike License☆20Sep 3, 2025Updated 10 months ago
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 3 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆53Oct 22, 2023Updated 2 years ago
- ⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.☆64Jun 19, 2026Updated 2 weeks ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆65Jun 5, 2026Updated last month
- 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.
- OCTAVVS: Open Chemometrics Toolbox for Analysis and Visualization of Vibrational Spectroscopy data☆16Jan 28, 2026Updated 5 months ago
- Ab initio electronic structure beyond density function theory☆35Updated this week
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Apr 9, 2026Updated 2 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆54Jun 5, 2026Updated last month
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆25Jun 23, 2022Updated 4 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆63Dec 29, 2023Updated 2 years ago
- Zeolite Simulation Environment☆25Oct 14, 2025Updated 8 months ago
- ☆71Mar 13, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 3 years ago
- Reproduction of CGCNN for predicting material properties☆27Updated this week
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆100Jun 25, 2026Updated last week
- An open-source, online textbook introducing Python programming to chemistry students☆27Dec 7, 2020Updated 5 years ago
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last month
- Estimate the fundamental frequency and inharmonicity coefficient of an isolated piano note☆11Jan 1, 2018Updated 8 years ago
- For computational analysis of bacterial RNA-seq data☆12Jul 14, 2017Updated 8 years ago
- A fully featured ASE calculator for xTB☆25Oct 21, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- A framework for processing adsorption data and isotherm fitting☆91Mar 19, 2026Updated 3 months ago
- A legible monospace font... the very typeface you’ve been trained to recognize since childhood. patched with nerd font's patcher☆11Jan 13, 2023Updated 3 years ago
- A universal file format for gas adsorption experiments☆22Jun 25, 2026Updated last week
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 3 months ago
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago