×

Found 38 Software Packages (Results 1–38)

APBS

Software Authors:   Nathan Baker; J. Andrew McCammon; Michael Holst
Cited in: 92 Publications (2001–2022)
Related Software: MIBPB; tabipb; CHARMM; TABI; PDB2PQR; PBEQ-Solver; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)

GAMESS

Software Authors:   Fletcher, Graham D.; Schmidt, Michael W.; Bode, Brett M.; Gordon, Mark S.
Cited in: 36 Publications (1998–2022)
Related Software: GAUSSIAN; NWChem; Quantum Espresso; Open Babel; Gromacs; MacMolPlt; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-XX)

HOLOMAC

Software Authors:   Motheau, E.; Abraham, J.
Cited in: 14 Publications (2016–2022)
Related Software: CHEMKIN; 2DECOMP; pySDC; GRI-Mech 3.0; TRANSPORT; MAESTRO; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Fluid mechanics (76-XX)

BioJava

Software Authors:   Andreas Prlic; Andrew Yates; Spencer E. Bliven; Peter W. Rose; Julius Jacobsen; Peter V. Troshin; Mark Chapman; Jianjiong Gao; Chuan Hock Koh; Sylvain Foisy; Richard Holland; Gediminas Rimsa; Michael L. Heuer; H. Brandstatter-Muller; Philip E. Bourne; Scooter Willis
Cited in: 5 Publications (2009–2017)
Related Software: Biopython; bioperl; MMTK; ProDy; Python; Taverna; …
Main Fields: General and overarching topics; collections (00-XX); Computer science (68-XX); Operations research, mathematical programming (90-XX)

CHEMSODE

Software Authors:   C.J. Aro
Cited in: 11 Publications (1996–2020)
Related Software: RODAS; LSODE; CHEMKIN; ODEPACK; VODE; NEW9p; …
Main Fields: Ordinary differential equations (34-XX); Numerical analysis (65-XX); Fluid mechanics (76-XX)

OCOTILLO

Software Authors:   Goldman, Deborah; Istrail, Sorin; Lancia, Giuseppe; Piccolboni, Antonio; Walenz, Brian
Cited in: 10 Publications (2000–2016)
Related Software:
Main Fields: Combinatorics (05-XX); Numerical analysis (65-XX); Computer science (68-XX)

FlowModellium

Software Authors:   Petrov, M. N.; Tambova, A. A.; Titarev, V. A.; Utyuzhnikov, S. V.; Chikitkin, A. V.
Cited in: 9 Publications (2018–2022)
Related Software: HLLE; Spalart-Allmaras; NOISETTE; Nesvetay; SMILE; MONACO; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Fluid mechanics (76-XX)

SPECY

Software Authors:   Carrayrou, Jérôme
Cited in: 9 Publications (2010–2022)
Related Software: MoMaS; HYTEC; MIN3P; HYDROGEOCHEM; PhreeqcRM; PHREEQC; …
Main Fields: Numerical analysis (65-XX); Fluid mechanics (76-XX); Classical thermodynamics, heat transfer (80-XX)

SpAMM

Software Authors:   Bock, Nicolas; Challacombe, Matt
Cited in: 7 Publications (2013–2021)
Related Software: CHARM++; SUMMA; ONETEP; SparseMatrix; TASCEL; FreeON; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Computer science (68-XX)

SchNetPack

Software Authors:   K.T. Schütt, P. Kessel, M. Gastegger, K. Nicoli, A. Tkatchenko, K.-R. Müller
Cited in: 1 Publication (2022)
Related Software: Python; SchNet; PyTorch; ASE; TensorFlow; SciPy; …
Main Fields: Probability theory and stochastic processes (60-XX); Biology and other natural sciences (92-XX)

CheMPS2

Software Authors:   Wouters, Sebastian; Poelmans, Ward; Ayers, Paul W.; van Neck, Dimitri
Cited in: 4 Publications (2014–2021)
Related Software: ITensor; ALPS MPS; ALPS; MCTDH; ALEA; LOBPCG; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX); Sequences, series, summability (40-XX)

Ergo

Software Authors:   Elias Rudberg; Emanuel H. Rubensson; Paweł Sałek; Anastasia Kruchinina
Cited in: 2 Publications (2021)
Related Software: Gabedit; SpAMM
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

PyBOX

Software Authors:   David Topping; Paul Connolly; Jonathan Reid
Cited in: 0 Publications
Related Software: Python; Numba; Assimulo; ThrustRTC; PALM; PyMPDATA; …
Main Fields:

ChemPy

Software Authors:   Dahlgren, B.
Cited in: 0 Publications
Related Software: SymPy; Python; Jupyter; pyneqsys; pyodesys; NumPy; …
Main Fields:

MateriApps LIVE

Software Authors:   Yuichi Motoyama; Kazuyoshi Yoshimi; Takeo Kato; Synge Todo
Cited in: 0 Publications
Related Software: mVMC; Quantum Mobile; Spack; VirtualBox; CONQUEST; DCore; …
Main Fields:

MESgenCov

Software Authors:   Hessa Al-Thani, Jon Lee
Cited in: 1 Publication (2020)
Related Software: EnvStats; EnviroStat; MVN; LambertW; R
Main Fields: Statistics (62-XX); Operations research, mathematical programming (90-XX)

AutoGAMESS

Software Authors:   Brian C. Ferrari
Cited in: 0 Publications
Related Software: ASE; WebMO; MOLDEN; CCLIB; NumPy; Atomate; …
Main Fields:

Chemiscope

Software Authors:   Guillaume Fraux; Rose K. Cersonsky; Michele Ceriotti
Cited in: 0 Publications
Related Software: CheS-Mapper; Sketchmap; ChemMapper; librascal; FUn; QUIP; …
Main Fields:

Chempl

Software Authors:   Fujun Du
Cited in: 0 Publications
Related Software: Nautilus; UCLCHEM; ALCHEMIC; KROME; MAGICKAL; Nahoon; …
Main Fields:

ConfBuster

Software Authors:   Barbeau, X., Vincent, A.T. , Lagüe, P.
Cited in: 0 Publications
Related Software: Open Babel; PyMOL; Python
Main Fields:

Davidson

Software Authors:   Dziubak, Tomasz; Matulewski, Jacek
Cited in: 1 Publication (2007)
Related Software: DVDSON
Main Fields: Numerical analysis (65-XX)

EVAN

Software Authors:   Scott, T.C.; Zhang, Wenxing
Cited in: 1 Publication (2015)
Related Software: Matlab; MPACK; MOLPRO; Scilab; Maple
Main Fields: Quantum theory (81-XX)

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:

libecpint

Software Authors:   Robert A. Shaw; J. Grant Hill
Cited in: 0 Publications
Related Software: serenity; GAUSSIAN; MOLPRO; Psi4
Main Fields:

MolGraph

Software Authors:   Alexander Kensert, Gert Desmet, Deirdre Cabooter
Cited in: 0 Publications
Related Software: MolGAN; Retip; MoleculeNet; PyTorch; DGL; Keras; …
Main Fields:

PDEase2D

Software Authors:   –
Cited in: 1 Publication (1999)
Related Software: MACSYMA
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Fluid mechanics (76-XX)

polypy

Software Authors:   Adam R. Symington
Cited in: 0 Publications
Related Software: DL_ANALYSER; DL_MONTE; Chemfiles; DL_POLY; MDAnalysis; Python
Main Fields:

PyCHAM

Software Authors:   Simon O'Meara; Shuxuan Xu; David Topping; Gerard Capes; Douglas Lowe; M. Rami Alfarra; Gordon McFiggans
Cited in: 0 Publications
Related Software: AtChem; PyBOX; SUNDIALS; Assimulo; Python
Main Fields:

pyrolite

Software Authors:   Morgan J. Williams, Louise Schoneveld, Yajing Mao, Jens Klump, Justin Gosses, Hayden Dalton, Adam Bath, Steve Barnes
Cited in: 0 Publications
Related Software: adiabat_1ph; pandas; Matplotlib; alphaMELTS; Scikit; Python
Main Fields:

PySDM

Software Authors:   Piotr Bartman, Sylwester Arabas, Kamil Górski, Anna Jaruga, Grzegorz Łazarski, Michael Olesik, Bartosz Piasecki, Aleksandra Talar
Cited in: 0 Publications
Related Software: ThrustRTC; PALM; Numba; PyMPDATA; Pencil Code; LCM1D; …
Main Fields:

SimSoup

Software Authors:   Chris Gordon-Smith
Cited in: 0 Publications
Related Software:
Main Fields:

SULISO

Software Authors:   Ian H. Williams, Philippe B. Wilson
Cited in: 0 Publications
Related Software: ISOEFF98; GAUSSIAN
Main Fields:

webchem

Software Authors:   Eduard Szöcs, Robert Allaway, Daniel Muench, Johannes Ranke, Andreas Scharmüller, Eric R Scott, Jan Stanstrup, Gordon Getzinger, Tamás Stirling
Cited in: 0 Publications
Related Software: CTS; xml2; dplyr; roxygen2; stringr; rvest; …
Main Fields:

JFDraw

Software Authors:   CookieMaker
Cited in: 0 Publications
Related Software:
Main Fields:

libposition

Software Authors:   kurtweber
Cited in: 0 Publications
Related Software:
Main Fields:

Powua Client

Software Authors:   Solgenia
Cited in: 0 Publications
Related Software:
Main Fields:

Spinach

Software Authors:   H.J. Hogben, M. Krzystyniak, G.T.P. Charnock, P.J. Hore, Ilya Kuprov
Cited in: 0 Publications
Related Software:
Main Fields:

StatCharrms

Software Authors:   Joe Swintek, Kevin Flynn, Jon Haselman
Cited in: 0 Publications
Related Software:
Main Fields: