VAMPnets Software Authors: Andreas Mardt, Luca Pasquali, Hao Wu, Frank Noé Cited in: 22 Publications (2019–2022) Related Software: PDE-Net; torchdiffeq; TensorFlow; SINDy; GAIO; PRMLT; … Main Fields: –
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 Cited in: 5 Publications (2019–2022) Related Software: Python; SciPy; Psi4; OpenFermion; qHiPSTER; ProjectQ; … Main Fields: –
CHEMSODE Software Authors: C.J. Aro Cited in: 11 Publications (1996–2020) Related Software: RODAS; LSODE; CHEMKIN; ODEPACK; VODE; NEW9p; … Main Fields: (65L05-XX); (34A34-XX); (92E20-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 Cited in: 2 Publications (2020–2021) Related Software: Python; QISKit; ProjectQ; qHiPSTER; Cirq; SciPy; … Main Fields: –
DeePMD-kit Software Authors: Han Wang, Linfeng Zhang, Jiequn Han, Weinan E Cited in: 1 Publication (2021) Related Software: TensorFlow; Adam; Slurm; dpdata; AiiDA; GAUSSIAN; … Main Fields: –
PiNN Software Authors: Yunqi Shao, Matti Hellström, Pavlin D. Mitev, Lisanne Knijff, Chao Zhang Cited in: 0 Publications Related Software: Python; MoleculeNet; Chainer; ZINC; Chainer Chemistry; DeepChem; … Main Fields: –
Tequila Software Authors: Jakob S. Kottmann, Sumner Alperin-Lea, Teresa Tamayo-Mendoza, Alba Cervera-Lierta, Cyrille Lavigne, Tzu-Ching Yen, Vladyslav Verteletskyi, Philipp Schleich, Abhinav Anand, Matthias Degroote, Skylar Chaney, Maha Kesibi, Naomi Grace Curnow, Brandon Solo, Georgios Tsilimigkounakis, Claudia Zendejas-Morales, Artur F. Izmaylov, Alán Aspuru-Guzik Cited in: 0 Publications Related Software: SciPy; OpenFermion; QISKit; Python; pybind11; qHiPSTER; … Main Fields: –
adcc Software Authors: Michael F. Herbst, Maximilian Scheurer, Thomas Fransson, Dirk R. Rehn, Andreas Dreuw Cited 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 Cited 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 Cited in: 0 Publications Related Software: Psi4; PySCF; SciPy; MOLPRO; scikit-optimize; pycma; … Main Fields: –
FDEXTR Software Authors: A.G. Abrashkevich, D.G. Abrashkevich Cited in: 1 Publication (1994) Related Software: – Main Fields: (65L15-XX); (34L40-XX); (65L12-XX)
FESSDE Software Authors: A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin Cited in: 1 Publication (1995) Related Software: – Main Fields: (65L15-XX); (34-04-XX); (65Y15-XX)
Fortnet Software Authors: Tammo van der Heide, Jolla Kullgren, Peter Broqvist, Vladimir Bačić, Thomas Frauenheim, Bálint Aradi Cited in: 0 Publications Related Software: VASP; ASE; HDF; Scikit; PyTorch; TensorFlow; … Main Fields: –
ML4Chem Software Authors: Muammar El Khatib, Wibe A de Jong Cited 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 Cited in: 0 Publications Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; … Main Fields: –
PLASMAKIN Software Authors: N.R. Pinhao Cited in: 1 Publication (2001) Related Software: CHEMKIN; CHEMSODE Main Fields: (76M99-XX); (76X05-XX); (80A30-XX)
PyBEST Software Authors: Katharina Boguslawski, Aleksandra Leszczyk, Artur Nowak, Filip Brzęk, Piotr Szymon Żuchowski, Dariusz Kędziera, Paweł Tecmer Cited 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 Cited in: 0 Publications Related Software: ScaleSoftPitzer; MultiSCALE; QmeQ; WATEQF; Numba; SymPy; … Main Fields: –
QForte Software Authors: Nicholas H. Stair, Francesco A. Evangelista Cited in: 0 Publications Related Software: SciPy; pybind11; qHiPSTER; Qulacs; Tequila; PennyLane; … Main Fields: –
REANN Software Authors: Yaolong Zhang, Junfan Xia, Bin Jiang Cited in: 0 Publications Related Software: LAMMPS; PhysNet; TensorMol; PyTorch Main Fields: –
UConnRCMPy Software Authors: Bryan W. Weber, Chih-Jen Sung Cited in: 0 Publications Related Software: Matplotlib; SciPy; NumPy; SPHINX; IPython; Cantera; … Main Fields: –