ccinput
Input generator
A tool that automates the generation of input files for computational chemistry simulations
Computational Chemistry Input Generator
42 stars
2 watching
7 forks
Language: Python
last commit: 5 months ago
Linked from 1 awesome list
computational-chemistrydft-calculationspythonquantum-chemistry-automation
lmmentel/awesome-python-chemistryRelated projects:
| Repository | Description | Stars |
|---|---|---|
 cclib/cclib | A Python library for parsing and analyzing output files from computational chemistry packages | 339 |
 bjodah/chempy | A comprehensive Python package for chemistry calculations and properties | 560 |
 weisscharlesj/scicompforchemists | A comprehensive textbook and teaching resource on programming in Python with applications to chemistry | 236 |
 cieslarmichal/faker-cxx | A C++ library for generating realistic data | 325 |
 doyle-lab-ucla/auto-qchem | Automated workflow for generating and storing DFT calculations for organic molecules using Python and machine learning. | 88 |
| cyllab/calcus | A web-based platform for performing quantum chemistry calculations and analysis. | 68 |
 theochem/iodata | A Python library for reading, writing, and converting various computational chemistry file formats. | 134 |
 jamesbowman/cuflow | A tool for automatically generating various output files from a PCB design description | 225 |
 meshpro/pygalmesh | Provides a Python interface to CGAL's meshing tools for generating high-quality meshes from 2D and 3D constraints and shapes. | 602 |
 cesbit/pyleri | A Python-based parser for defining grammars and generating parsers in multiple languages | 121 |
 cvlab-columbia/viper | A framework for generating and executing Python code to solve visual inference tasks using large language models | 1,666 |
 cocotb/cocotb | A Python library for writing and simulating digital circuits with testbenches | 1,842 |
 microsoft/codebert | A pre-trained model for programming languages that can generate code | 2,281 |
 s-ol/gpwfc | An algorithmic procedural content generation tool using GPU acceleration. | 50 |
 alanmitchell/micropython-inputs | A Micro Python library for reading digital and analog inputs on microcontrollers. | 34 |