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Found 13 Software Packages (Results 1–13)

VAMPnets

Software Authors:   Andreas Mardt, Luca Pasquali, Hao Wu, Frank Noé
Referenced in: 22 Publications (2019–2022)
Related Software: PDE-Net; torchdiffeq; TensorFlow; SINDy; GAIO; PRMLT; …
Main Fields: Dynamical systems and ergodic theory (37-XX); Operator theory (47-XX); Numerical analysis (65-XX)

PySCF

Software Authors:   Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt, George H. Booth, Sheng Guo, Zhendong Li, Junzi Liu, James McClain, Sandeep Sharma, Sebastian Wouters, Garnet Kin-Lic Chan
Referenced in: 4 Publications (2019–2022)
Related Software: SciPy; Python; Psi4; OpenFermion; qHiPSTER; ProjectQ; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-XX)

OpenFermion

Software Authors:   Jarrod R. McClean, Ian D. Kivlichan, Kevin J. Sung, Damian S. Steiger, Yudong Cao, Chengyu Dai, E. Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale, Thomas Häner, Tarini Hardikar, Vojtěch Havlíček, Cupjin Huang, Josh Izaac, Zhang Jiang, Xinle Liu, Matthew Neeley, Thomas O'Brien, Isil Ozfidan, Maxwell D. Radin, Jhonathan Romero, Nicholas Rubin, Nicolas P. D. Sawaya, Kanav Setia, Sukin Sim, Mark Steudtner, Qiming Sun, Wei Sun, Fang Zhang, Ryan Babbush
Referenced in: 2 Publications (2020–2021)
Related Software: Python; qHiPSTER; ProjectQ; QISKit; SciPy; PySCF; …
Main Fields: Calculus of variations and optimal control; optimization (49-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

adcc

Software Authors:   Michael F. Herbst, Maximilian Scheurer, Thomas Fransson, Dirk R. Rehn, Andreas Dreuw
Referenced in: 0 Publications
Related Software: VeloxChem; molsturm; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; …
Main Fields:

DeePKS-kit

Software Authors:   Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E
Referenced in: 0 Publications
Related Software: GELUs; DP-GEN; Adam; PySCF; PyTorch
Main Fields:

Fanpy

Software Authors:   Taewon David Kim, Michael Richer, Gabriela Sánchez-Díaz, Farnaz Heidar-Zadeh, Toon Verstraelen, Ramón Alain Miranda-Quintana, Paul W. Ayers
Referenced in: 0 Publications
Related Software: Psi4; PySCF; SciPy; MOLPRO; scikit-optimize; pycma; …
Main Fields:

Fortnet

Software Authors:   Tammo van der Heide, Jolla Kullgren, Peter Broqvist, Vladimir Bačić, Thomas Frauenheim, Bálint Aradi
Referenced in: 0 Publications
Related Software: VASP; ASE; HDF; Scikit; PyTorch; TensorFlow; …
Main Fields:

ML4Chem

Software Authors:   Muammar El Khatib, Wibe A de Jong
Referenced in: 0 Publications
Related Software: Amp; Matplotlib; Adam; Scikit; DScribe; pymatgen; …
Main Fields:

NQCDynamics.jl

Software Authors:   James Gardner, Oscar A. Douglas-Gallardo, Wojciech G. Stark, Julia Westermayr, Svenja M. Janke, Scott Habershon, Reinhard J. Maurer
Referenced in: 0 Publications
Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; …
Main Fields:

PyBEST

Software Authors:   Katharina Boguslawski, Aleksandra Leszczyk, Artur Nowak, Filip Brzęk, Piotr Szymon Żuchowski, Dariusz Kędziera, Paweł Tecmer
Referenced in: 0 Publications
Related Software: SPHINX; EinSum; CuPy; Jmol; Psi4NumPy; NumPy; …
Main Fields:

PyEquIon

Software Authors:   Caio Felippe Curitiba Marcellos, Gerson Francisco da Silva Junior, Elvis do Amaral Soares, Fabio Ramos, Amaro G. Barreto Jr
Referenced in: 0 Publications
Related Software: ScaleSoftPitzer; MultiSCALE; QmeQ; WATEQF; Numba; SymPy; …
Main Fields:

QForte

Software Authors:   Nicholas H. Stair, Francesco A. Evangelista
Referenced in: 0 Publications
Related Software: SciPy; pybind11; qHiPSTER; Qulacs; Tequila; PennyLane; …
Main Fields:

REANN

Software Authors:   Yaolong Zhang, Junfan Xia, Bin Jiang
Referenced in: 0 Publications
Related Software: LAMMPS; PhysNet; TensorMol; PyTorch
Main Fields: