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Jupyter Notebook |
20 |
Generate canonical molecule identifiers for quantum chemistry database |
Jul 12, 2022 |
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Python |
44 |
👨🔬 A TUI periodic table and chemistry reference |
Aug 23, 2022 |
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TypeScript |
39 |
Learn the basics of chemistry doing the tests and using the periodic table |
Jul 20, 2022 |
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TypeScript |
4 |
Learn the basics of chemistry doing the tests and using the periodic table |
Jan 28, 2023 |
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C++ |
3 |
Interactive periodic table viewer made with SFML library using C++ for chemistry assignment |
Dec 10, 2022 |
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Python |
262 |
Quantum circuits for simulations of quantum chemistry and materials. |
Jul 24, 2022 |
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Python |
17 |
Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations |
May 13, 2023 |
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Python |
49 |
Enable cheminformatics and quantum chemistry |
Apr 25, 2023 |
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Jupyter Notebook |
2 |
Quantum deep field for molecule |
May 01, 2022 |
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C++ |
5 |
Collection of mathematical and physical constants |
Oct 29, 2020 |
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Python |
758 |
Python module for quantum chemistry |
Aug 21, 2022 |
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Python |
57 |
Python module for quantum chemistry |
Apr 26, 2023 |
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Python |
89 |
A Schema for Quantum Chemistry |
Apr 05, 2023 |
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Python |
2 |
Python module for quantum chemistry |
Nov 22, 2021 |
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Python |
3 |
Python module for quantum chemistry |
Jul 28, 2022 |
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Python |
8 |
Python module for quantum chemistry |
Jan 11, 2023 |
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Shell |
3 |
periodic table for GNOME |
Apr 23, 2022 |
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Python |
13 |
Databases and Interoperability in Quantum Chemistry |
Jan 03, 2023 |
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TypeScript |
16 |
Simple and interactive periodic table. |
Jun 29, 2023 |
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C |
155 |
general GTO integrals for quantum chemistry |
Apr 26, 2023 |
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Python |
2 |
Optimize meshes for quantum chemistry calculations. |
Jan 29, 2023 |
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C |
2 |
general GTO integrals for quantum chemistry |
Jan 18, 2024 |
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Python |
6 |
A periodic table for Sugar |
Jun 22, 2022 |
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Julia |
96 |
Periodic Table for Julians! :fire: |
May 02, 2023 |
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Python |
3 |
Interface between Quantum Chemistry programs and RDKit |
Aug 24, 2020 |
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Python |
16 |
Deep-learning models for Drug Discovery and Quantum Chemistry |
Mar 22, 2022 |
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Python |
121 |
A distributed compute and database platform for quantum chemistry. |
Apr 04, 2023 |
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Python |
19 |
Deep-learning models for Drug Discovery and Quantum Chemistry |
Nov 18, 2022 |
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Ruby |
4 |
Brew formulas for xtb and related quantum chemistry programs |
Dec 12, 2022 |
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Go |
30 |
Go constants for the multicodec table |
Aug 09, 2022 |
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Vim script |
4 |
VIM highlight files for Quantum Chemistry packages |
Jul 07, 2022 |
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Python |
7 |
Various scripts for quantum chemistry (mainly ORCA) |
Jul 13, 2022 |
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Jupyter Notebook |
2 |
Random useful quantum computing for chemistry things. |
Mar 16, 2022 |
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Fortran |
18 |
Massively parallel software for quantum chemistry calculations |
May 11, 2022 |
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Python |
69 |
OpenFermion quantum chemistry plugin for @rigetti Forest. |
Mar 22, 2023 |
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Python |
7 |
AiiDA plugin for Gaussian quantum chemistry software |
Apr 14, 2023 |
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TeX |
65 |
Solutions for Modern Quantum Chemistry, Szabo & Ostlund |
Apr 22, 2023 |
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Python |
19 |
Basis set optimization library for quantum chemistry |
Apr 21, 2023 |
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Python |
5 |
Pytorch implementation of MPNN for Quantum Chemistry |
Mar 31, 2023 |
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Python |
2 |
Distributed system for scaling quantum chemistry computations |
Nov 20, 2023 |
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Mathematica |
4 |
Errata and code for Introduction to Computational Physical Chemistry Book |
Feb 18, 2023 |
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HTML |
42 |
Periodic Table flashcard deck for Ankl |
Aug 05, 2022 |
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Rust |
3 |
A periodic table plugin for nushell |
Apr 11, 2023 |
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Python |
4 |
Physical - web scrape, format and clean data, and (SQL) database Physical Constants, Units, and … |
Apr 03, 2022 |
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Fortran |
483 |
Quantum chemistry and solid state physics software package |
Aug 15, 2022 |
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Python |
132 |
Quantum chemistry program executor and IO standardizer (QCSchema). |
Apr 25, 2023 |
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Fortran |
4 |
Quantum chemistry and solid state physics software package |
Mar 06, 2023 |
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Fortran |
2 |
Quantum chemistry and solid state physics software package |
Jan 27, 2023 |
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TypeScript |
4 |
Periodic table made with React.js and MUI |
Mar 07, 2023 |
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HTML |
2 |
Made periodic table using html and css |
Apr 17, 2023 |