|
|
Jupyter Notebook |
3 |
Code to generate constant-depth circuits for dynamic simulations of materials on quantum computers |
Jul 25, 2022 |
|
|
Python |
4279 |
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology |
Apr 24, 2023 |
|
|
Python |
2 |
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology |
Mar 07, 2022 |
|
|
CSS |
2 |
Materials for an "Introduction to Quantum Chemistry" course built using sphinx |
Jul 29, 2023 |
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|
C |
37 |
Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics. |
May 25, 2022 |
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|
Java |
5 |
Replacement for Quantum Circuits |
Dec 02, 2016 |
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|
Python |
49 |
Enable cheminformatics and quantum chemistry |
Apr 25, 2023 |
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|
Python |
828 |
Quantum assembly language for extended quantum circuits |
Jun 25, 2022 |
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|
TeX |
2 |
Quantum assembly language for extended quantum circuits |
Sep 29, 2021 |
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|
TeX |
5 |
introductory book about quantum circuits and quantum computing |
May 17, 2021 |
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|
None |
9 |
Gate and operation specification for quantum circuits |
Jan 12, 2023 |
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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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|
Python |
23 |
Tools for knitting quantum circuits |
Apr 19, 2023 |
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|
Python |
13 |
Databases and Interoperability in Quantum Chemistry |
Jan 03, 2023 |
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|
Python |
16 |
A platform to enable high-throughput, database-driven quantum chemistry and computational materials science |
Aug 10, 2022 |
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|
Python |
20 |
Quantum Chemistry Web Platform |
Jun 16, 2022 |
|
|
Shell |
5 |
Quantum Chemistry speed test |
May 12, 2022 |
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|
Python |
8 |
Semiempirical Quantum Chemistry Methods |
Oct 25, 2022 |
|
|
C++ |
309 |
Schrödinger and Schrödinger-Feynman simulators for quantum circuits. |
Sep 01, 2022 |
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None |
2 |
Schrödinger and Schrödinger-Feynman simulators for quantum circuits. |
Jul 14, 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 |
4 |
ARchitecture for Quantum Time-dependent Circuits |
Sep 30, 2022 |
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|
Python |
3 |
Interface between Quantum Chemistry programs and RDKit |
Aug 24, 2020 |
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|
Python |
3 |
Quick tools for materials chemistry |
Jul 07, 2022 |
|
|
Scala |
3 |
Quantum circuits compiler with staging and continuations |
Apr 06, 2023 |
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Fortran |
2 |
The Merced Quantum Chemistry Package |
May 26, 2022 |
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|
Python |
10 |
Simulating quantum circuits with JAX |
Feb 27, 2023 |
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|
Python |
2 |
Generates music with quantum circuits |
May 01, 2023 |
|
|
Julia |
31 |
Solving Quantum Statistical Mechanics with Variational Autoregressive Networks and Quantum Circuits |
Apr 11, 2023 |
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|
Python |
16 |
Deep-learning models for Drug Discovery and Quantum Chemistry |
Mar 22, 2022 |
|
|
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 |
|
|
Ruby |
4 |
Brew formulas for xtb and related quantum chemistry programs |
Dec 12, 2022 |
|
|
Vim script |
4 |
VIM highlight files for Quantum Chemistry packages |
Jul 07, 2022 |
|
|
Python |
7 |
Various scripts for quantum chemistry (mainly ORCA) |
Jul 13, 2022 |
|
|
Jupyter Notebook |
2 |
Random useful quantum computing for chemistry things. |
Mar 16, 2022 |
|
|
Fortran |
18 |
Massively parallel software for quantum chemistry calculations |
May 11, 2022 |
|
|
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 |