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Web-based molecule sketcher

TypeScript 546 187 Updated Mar 21, 2025

SPIKE a collaborative development for a FT-spectroscopy processing program.

Jupyter Notebook 17 8 Updated Sep 3, 2024

📊 Save matplotlib figures as TikZ/PGFplots for smooth integration into LaTeX.

Python 2,470 231 Updated Aug 16, 2024

🪴💧A WiFi-enabled soil moisture sensor

C++ 135 13 Updated Aug 1, 2021

ScanTailor Advanced is the version that merges the features of the ScanTailor Featured and ScanTailor Enhanced versions, brings new ones and fixes.

C++ 1,227 131 Updated Sep 13, 2023

Qt MongoDB desktop cheminformatics application - this project is no longer active

C++ 16 4 Updated Jul 2, 2015

Desktop integration of high performance computing resources

C++ 26 23 Updated Oct 24, 2024

A minimal molecular viewer written in Javascript

JavaScript 27 7 Updated Mar 13, 2011

Draw MR Sequence Diagrams for LaTeX / MetaPost

35 10 Updated Jul 3, 2020

Shelly Dimmer with rotary encoder and Home Assistant intergration

C++ 17 2 Updated Aug 16, 2020

Grab the important data from Pasco Capstone experiment files

Python 3 Updated Mar 18, 2016

A LaTeX package cleanup utility.

Python 42 4 Updated Aug 26, 2021

Smart Stirrer

C 10 2 Updated Aug 17, 2020

IsoCor: Isotope Correction for mass spectrometry labeling experiments

Python 24 9 Updated Feb 27, 2025

geoRge: a computational tool for stable isotope labelling detection in LC/MS-based untargeted metabolomics

R 10 6 Updated Sep 17, 2021

A package for data analysis of isotopic patterns

R 6 1 Updated Jul 22, 2016

natural abundance and isotopic impurity correction

MATLAB 6 1 Updated Mar 23, 2019

a LaTeX package for managing the options and loading order of other packages

TeX 33 3 Updated Sep 27, 2022

Database of dynamics trajectories

Shell 4 Updated Apr 13, 2020

ProgdynSuite is a program that interfaces with Gaussian09

C++ 5 3 Updated Jan 10, 2015

Biomolecular Illustration Tool

Fortran 115 21 Updated Aug 17, 2024

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

Python 142 51 Updated Sep 5, 2024

pgf/TikZ diagram editor

C++ 1,162 72 Updated Apr 17, 2024

typeset chemical compounds and reactions

TeX 24 2 Updated Feb 19, 2024

Tutorial for creating Python/Qt GUIs with fbs

Python 2,013 162 Updated Sep 16, 2021

Create Python GUIs with Qt in minutes

Python 3,846 194 Updated Jan 6, 2025

Effing package management! Build packages for multiple platforms (deb, rpm, etc) with great ease and sanity.

Ruby 11,259 1,076 Updated Mar 6, 2025

A tool used to obfuscate python scripts, bind obfuscated scripts to fixed machine or expire obfuscated scripts.

Python 4,085 310 Updated Mar 20, 2025

The Cross-Platform Cython/Python/C Auto-Compiler

Python 14 2 Updated Jan 14, 2017

A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

Python 92 21 Updated Jul 24, 2021
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