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|
C++ |
2 |
Chemistry In A Box: A development kit that provides computational solutions for chemistry-based problems. |
Jun 29, 2021 |
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FORTRAN |
3 |
Computational Chemistry Tools |
Jun 07, 2020 |
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|
Python |
8 |
Solutions to computational problems of the Project Euler. |
Apr 21, 2022 |
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|
Jupyter Notebook |
9 |
Jupyter notebooks illustrating solutions to computational macroeconomic problems |
Jul 12, 2022 |
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|
Python |
11 |
Computational Chemistry Input Generator |
Mar 01, 2022 |
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|
Jupyter Notebook |
4 |
Computational chemistry tools for daily use |
May 20, 2022 |
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|
Jupyter Notebook |
5 |
Biology and Chemistry Computational Research |
Jun 23, 2022 |
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|
C++ |
2 |
Symbiotic computational chemistry; Public repository. |
Jul 11, 2016 |
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Stylus |
2 |
A computational chemistry rookie's blog |
Apr 29, 2023 |
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|
Python |
25 |
Containerised components for cheminformatics and computational chemistry |
Aug 21, 2022 |
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|
Python |
273 |
Parsers and algorithms for computational chemistry logfiles |
Apr 24, 2023 |
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|
Python |
2 |
Parsers and algorithms for computational chemistry logfiles |
Mar 28, 2023 |
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|
Python |
7 |
Personal scripts, mostly for computational chemistry analysis. |
Oct 28, 2022 |
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Crystal |
19 |
Library for dealing with computational chemistry files |
Jan 31, 2023 |
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Python |
36 |
Quantum computational chemistry based on TensorCircuit |
Apr 27, 2023 |
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|
Python |
301 |
Python-centric Cookiecutter for Molecular Computational Chemistry Packages |
Apr 30, 2023 |
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|
Python |
2 |
A python-based engine for computational chemistry calculations |
Mar 28, 2023 |
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|
Python |
39 |
Natural language computational chemistry command line interface. |
Mar 20, 2023 |
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|
Shell |
3 |
an amateur about computational chemistry，lammps，shell.... |
Apr 30, 2022 |
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|
Python |
6 |
A collection of scripts. Mostly computational chemistry. |
Apr 09, 2023 |
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|
Jupyter Notebook |
2 |
Advanced Computational Chemistry module, University of Warwick |
Dec 18, 2021 |
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Fortran |
4 |
NWChem: Open Source High-Performance Computational Chemistry |
Jan 20, 2022 |
|
|
Fortran |
384 |
NWChem: Open Source High-Performance Computational Chemistry |
May 08, 2023 |
|
|
Dockerfile |
2 |
A suite of Docker images used for computational chemistry |
Sep 13, 2021 |
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|
C++ |
2 |
About The fundamental package for computational chemistry with cpp. |
Apr 18, 2023 |
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|
TeX |
65 |
Solutions for Modern Quantum Chemistry, Szabo & Ostlund |
Apr 22, 2023 |
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|
Jupyter Notebook |
2 |
A Common Platform for the study related to Bioinformatics, Computational Biology and Computational Chemistry. |
Nov 23, 2022 |
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|
Jupyter Notebook |
5 |
Using TensorFlow to model chemistry problems |
Jan 13, 2023 |
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|
Gnuplot |
10 |
Computational chemistry with free and open source software |
Sep 02, 2022 |
|
|
Jupyter Notebook |
5 |
Interactive Jupyter notebooks on topics of computational chemistry |
Mar 06, 2023 |
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|
Shell |
2 |
Run sets of computational chemistry calculations in batch. |
Feb 29, 2024 |
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|
C++ |
4 |
In this Repository I will but my solutions for problems on leetcode.com |
Mar 04, 2023 |
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|
None |
191 |
A primer on software development best practices for computational chemistry |
Jul 26, 2022 |
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Mathematica |
4 |
Errata and code for Introduction to Computational Physical Chemistry Book |
Feb 18, 2023 |
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|
C |
2 |
solutions for CS50 problems |
Dec 15, 2020 |
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C++ |
11 |
Solutions for LeetCode Problems |
Mar 21, 2023 |
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JavaScript |
7 |
Solutions for LeetCode Problems |
May 09, 2023 |
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|
Python |
2 |
Solutions for LeetCode Problems. |
Apr 12, 2023 |
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|
Python |
5 |
Interesting problems of computational mathematics |
Nov 21, 2022 |
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Roff |
9 |
Computational chemistry logfiles used as regression tests by cclib |
Nov 08, 2022 |
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|
None |
2 |
Spring School on Computational Chemistry Basic QC hands on |
Apr 16, 2024 |
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|
Python |
14 |
A toolkit featured artificial intelligence × ab initio for computational chemistry research. |
Feb 16, 2023 |
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|
None |
2 |
Smart Solutions For Railways |
Oct 09, 2022 |
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None |
2 |
Smart Solutions For Railways |
Oct 02, 2022 |
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C++ |
2 |
Smart Solutions For Railways |
Sep 16, 2022 |
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|
None |
2 |
Smart Solutions For Railways |
Oct 12, 2022 |
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|
Python |
2 |
Smart Solutions For Railways |
Sep 23, 2022 |
|
|
None |
4 |
Smart Solutions For Railways |
Oct 14, 2022 |
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None |
2 |
Smart Solutions For Railways |
Sep 17, 2022 |
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|
None |
2 |
Smart Solutions For Railways |
Sep 30, 2022 |