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Found 53 Software Packages (Results 1–53)

CGAL

Software Authors:   CGAL Editorial Board
Cited in: 370 Publications (2000–2022)
Related Software: LEDA; 2D triangulations; 2D Arrangement; Triangle; Boost; Qhull; …
Main Fields: Convex and discrete geometry (52-XX); Numerical analysis (65-XX); Computer science (68-XX)

tabipb

Software Authors:   W.H. Geng; R. Krasny
Cited in: 33 Publications (2013–2022)
Related Software: TABI; MIBPB; APBS; TMSmesh; PDB2PQR; CHARMM; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Fluid mechanics (76-XX)

TABI

Software Authors:   Geng, Weihua; Krasny, Robert
Cited in: 32 Publications (2013–2021)
Related Software: tabipb; APBS; MIBPB; PDB2PQR; TMSmesh; CHARMM; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Fluid mechanics (76-XX)

TMSmesh

Software Authors:   Chen M., Lu B.
Cited in: 21 Publications (2013–2020)
Related Software: APBS; MIBPB; tabipb; TABI; TetGen; AFMPB; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

PBEQ-Solver

Software Authors:   S. Jo, M. Vargyas, J. Vasko-Szedlar, B. Roux, W. Im
Cited in: 14 Publications (2011–2022)
Related Software: APBS; MIBPB; CHARMM; PDB2PQR; tabipb; TABI; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

ARVO

Software Authors:   Buša, Ján; Džurina, Jozef; Hayryan, Edik; Hayryan, Shura; Hu, Chin-Kun; Plavka, Ján; Pokorný, Imrich; Skřivánek, Jaroslav; Wu, Ming-Chya
Cited in: 14 Publications (1993–2016)
Related Software: SMMP; CAVE; SURFNET; VADAR; OBBTree; OPCODE; …
Main Fields: Integral equations (45-XX); Global analysis, analysis on manifolds (58-XX); Numerical analysis (65-XX)

EIRENE

Software Authors:   Detlev Reiter
Cited in: 12 Publications (2011–2022)
Related Software: TOKAM3X; BOUT++; SOLPS-ITER; SolEdge2D; TOKAM-3D; GRILLIX; …
Main Fields: Numerical analysis (65-XX); Fluid mechanics (76-XX); Statistical mechanics, structure of matter (82-XX)

TINKER

Software Authors:   Washington University School of Medicine; Ponder, J., et al
Cited in: 9 Publications (2002–2019)
Related Software: NDL; VTDIRECT95; PaGMO/PyGMO; CHARMM; Gromacs; AMBER; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

SchNet

Software Authors:   Schütt, K.; Kindermans, P-J; Felix, H. E S.; Chmiela, S.; Tkatchenko, A.; Müller, K-R
Cited in: 8 Publications (2019–2022)
Related Software: Adam; SchNetPack; DiffSharp; JAX; GitHub; TensorFlow; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

Rate4Site

Software Authors:   Pupko T, Bell RE, Mayrose I, Glaser F, Ben-Tal N
Cited in: 1 Publication (2011)
Related Software: BLAST; PSI-BLAST; Naccess; ConSeq; R; PROSITE; …
Main Fields: Biology and other natural sciences (92-XX); Information and communication theory, circuits (94-XX)

PacthDock

Software Authors:   Duhovny D, Nussinov R, Wolfson HJ
Cited in: 4 Publications (2002–2019)
Related Software: PatchDock; YASARA; VADAR; DFSA; DDFSA; AutoDock; …
Main Fields: Computer science (68-XX); Operations research, mathematical programming (90-XX); Biology and other natural sciences (92-XX)

PAFMPB

Software Authors:   Zhang, Bo; Peng, Bo; Huang, Jingfang; Pitsianis, Nikos P.; Sun, Xiaobai; Lu, Benzhuo
Cited in: 6 Publications (2015–2019)
Related Software: tabipb; TMSmesh; AFMPB; APBS; VCMM; DASHMM; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

SMEAGOL

Software Authors:   A. R. Rocha, V. M. García-Suárez, S. Bailey, C. Lambert, J. Ferrer, S. Sanvito
Cited in: 3 Publications (2008–2009)
Related Software: Python; Kwant; NumPy; SciPy; LAPACK; NEMO5; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Optics, electromagnetic theory (78-XX)

ConSurf

Software Authors:   Glaser, F.; Pupko, T.; Paz, I.; Bell, R.E.; Bechor, D.; Martz, E.; Ben-Tal, N.
Cited in: 3 Publications (2007–2012)
Related Software: UniProt; BLAST; PSI-BLAST; MUSCLE; SURFNET; AdaBoost.MH; …
Main Fields: Computer science (68-XX); Biology and other natural sciences (92-XX)

TexMol

Software Authors:   C. L. Bajaj, P. Djeu, V. Siddavanahalli, A. Thane
Cited in: 4 Publications (2006–2011)
Related Software: APBS; F2Dock; MolEnergy; PDB2PQR; PETSc; CHARMM
Main Fields: Partial differential equations (35-XX); Manifolds and cell complexes (57-XX); Numerical analysis (65-XX)

MOLDEN

Software Authors:   G.Schaftenaar, J.H. Noordik
Cited in: 2 Publications (2006–2016)
Related Software: GAMESS; GAUSSIAN; ASE; WebMO; CCLIB; NumPy; …
Main Fields: Statistical mechanics, structure of matter (82-XX); Biology and other natural sciences (92-XX)

DP-GEN

Software Authors:   Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, Weinan E
Cited in: 1 Publication (2022)
Related Software: Slurm; TensorFlow; dpdata; AiiDA; GAUSSIAN; LAMMPS; …
Main Fields: Probability theory and stochastic processes (60-XX); Numerical analysis (65-XX)

FreeSASA

Software Authors:   Simon Mitternacht
Cited in: 2 Publications (2017–2018)
Related Software: PISCES; NSOL; Naccess; PyMOL; DelPhi; PDB2PQR; …
Main Fields: Numerical analysis (65-XX); Biology and other natural sciences (92-XX)

MetaMol

Software Authors:   Chavent M., Levy B., Maigret B.
Cited in: 3 Publications (2013–2018)
Related Software: SIMS; GTEngine; PAFMPB; TMSmesh; PDB2PQR; TetGen; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Biology and other natural sciences (92-XX)

MolAxis

Software Authors:   Eitan Yaffe, Dan Fishelovitch, Haim J. Wolfson, Dan Halperin, Ruth Nussinov
Cited in: 1 Publication (2010)
Related Software: Powercrust; Spherical Code; 3D Alpha Shapes; Mathematica; CGAL
Main Fields: Combinatorics (05-XX); Convex and discrete geometry (52-XX); Numerical analysis (65-XX)

SURFNET

Software Authors:   Roman A. Laskowski
Cited in: 2 Publications (2008–2010)
Related Software: UniProt; CAVE; VADAR; SMMP; ARVO; ConSurf; …
Main Fields: Computer science (68-XX); Biology and other natural sciences (92-XX)

VCMM

Software Authors:   Bai, S. Y.; Lu, B. Z.
Cited in: 3 Publications (2015–2019)
Related Software: TMSmesh; tabipb; TABI; PAFMPB; AFMPB; APBS; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

McVol

Software Authors:   Till, M., Ullmann, G.
Cited in: 2 Publications (2011–2020)
Related Software: Voronoia; CGAL; SBL; MolSurfComp; GitHub; Voro++; …
Main Fields: Convex and discrete geometry (52-XX); Numerical analysis (65-XX); Biology and other natural sciences (92-XX)

Newton-X

Software Authors:   M. Barbatti, G. Granucci, M. Ruckenbauer, F. Plasser, R. Crespo-Otero, J. Pittner, M. Persico, H. Lischka
Cited in: 1 Publication (2015)
Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; …
Main Fields: Numerical analysis (65-XX); Biology and other natural sciences (92-XX)

NSOL

Software Authors:   Masato Masuya
Cited in: 1 Publication (2006)
Related Software: PISCES; Naccess; PyMOL; FreeSASA; SMMP
Main Fields: Statistical mechanics, structure of matter (82-XX); Biology and other natural sciences (92-XX)

PhysNet

Software Authors:   Oliver T. Unke, Markus Meuwly
Cited in: 1 Publication (2022)
Related Software: LAMMPS; TensorMol; PyTorch; REANN; DiffSharp; mad-GP; …
Main Fields: Probability theory and stochastic processes (60-XX); Biology and other natural sciences (92-XX)

SIMS

Software Authors:   Vorobjev Y.N., Hermans J.
Cited in: 2 Publications (2013–2018)
Related Software: MetaMol; GTEngine; PAFMPB; TMSmesh; PDB2PQR; TetGen; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Biology and other natural sciences (92-XX)

ADmoND

Software Authors:   Jakšić, O.
Cited in: 1 Publication (2019)
Related Software: Matlab
Main Fields: Ordinary differential equations (34-XX); Probability theory and stochastic processes (60-XX); Classical thermodynamics, heat transfer (80-XX)

ALCHEMIC

Software Authors:   Semenov, Dmitry A.
Cited in: 0 Publications
Related Software: Nautilus; UCLCHEM; KROME; MAGICKAL; Nahoon; Python; …
Main Fields:

Anncolvar

Software Authors:   Trapl, D., Horvacanin, I., Mareska, V., Ozcelik, F., Unal, G., Spiwok, V
Cited in: 0 Publications
Related Software: PyTorch; MDAnalysis; TorchANI; OpenMM; HOOMD-blue; Python; …
Main Fields:

ATK-Classical

Software Authors:   Julian Schneider, Jan Hamaekers, Samuel T. Chill, Søren Smidstrup, Johannes Bulin, Ralph Thesen, Anders Blom, Kurt Stokbro
Cited in: 0 Publications
Related Software: TREMOLO-X; Python; Atomistix ToolKit
Main Fields:

BetaVoid

Software Authors:   Jae-Kwan Kim, Youngsong Cho, Roman A. Laskowski, Seong Eon Ryu, Kokichi Sugihara, Deok-Soo Kim
Cited in: 1 Publication (2016)
Related Software: QTFier; BetaConcept; BetaSCPWeb; CAVER; packomania; VRONI; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX)

CLUMP

Software Authors:   Vasileios Angelidakis, Sadegh Nadimi, Masahide Otsubo, Stefano Utili
Cited in: 0 Publications
Related Software: spheretree; DEM-ClumpedSphere; Rigid Body Parameters; iso2mesh; stlTools; LAMMPS; …
Main Fields:

DFTBaby

Software Authors:   Alexander Humeniuk, Roland Mitric
Cited in: 0 Publications
Related Software:
Main Fields:

dlmontepython

Software Authors:   T. L. Underwood, J. A. Purton, J. R. H. Manning, A. V. Brukhno, K. Stratford, T. Düren, N. B. Wilding, S. C. Parker
Cited in: 0 Publications
Related Software: NumPy; SciPy; Jupyter; MDAnalysis; ASE; HOOMD-blue; …
Main Fields:

ERWP

Software Authors:   Lemoine, Didier; Jackson, Bret
Cited in: 1 Publication (2001)
Related Software:
Main Fields: Fluid mechanics (76-XX); Quantum theory (81-XX)

FORCITE

Software Authors:   Accelrys
Cited in: 1 Publication (2016)
Related Software:
Main Fields: Biology and other natural sciences (92-XX)

GDIS

Software Authors:   S. Fleming, A. Rohl
Cited in: 1 Publication (2016)
Related Software: USPEX; GULP
Main Fields: Statistical mechanics, structure of matter (82-XX)

HIT

Software Authors:   Anne E. Counterman Burba, Ursula Lehnert, Eric Z. Yu, Mark Gerstein
Cited in: 1 Publication (2008)
Related Software: SOCKET
Main Fields: Biology and other natural sciences (92-XX)

Icarus

Software Authors:   Bartel T, Plimpton S, Gallis, M.
Cited in: 1 Publication (2012)
Related Software: MONACO; GRASP
Main Fields: Fluid mechanics (76-XX)

MDMC2

Software Authors:   Bonhommeau, David A.; Gaigeot, Marie-Pierre
Cited in: 1 Publication (2014)
Related Software:
Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

MolSurfComp

Software Authors:   Quan, C, Stamm, B
Cited in: 1 Publication (2020)
Related Software: SBL; GitHub; McVol; Voronoia; Voro++; DLMF; …
Main Fields: Convex and discrete geometry (52-XX)

NanoShaper

Software Authors:   Sergio Decherchi, Andrea Spitaleri, John Stone, Walter Rocchia
Cited in: 1 Publication (2022)
Related Software: PyGBe; MIBPB; tabipb
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

SHAPE

Software Authors:   Angelidakis V., Nadimi S., Utili S.
Cited in: 0 Publications
Related Software: spheretree; DEM-ClumpedSphere; Rigid Body Parameters; iso2mesh; stlTools; LAMMPS; …
Main Fields:

SHARC

Software Authors:   S. Mai, M. Richter, M. Heindl, M. F. S. J. Menger, A. Atkins, M. Ruckenbauer, F. Plasser, M. Oppel, P. Marquetand, L. González
Cited in: 0 Publications
Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; …
Main Fields:

Space_filling_model_surface_volume

Software Authors:   F. Cazals, T. Dreyfus, S. Loroit
Cited in: 1 Publication (2018)
Related Software: SBL; Intersurf
Main Fields: Convex and discrete geometry (52-XX); Numerical analysis (65-XX); Computer science (68-XX)

THOR

Software Authors:   K.C. Mundim, P.G. Pascutti; P.M. Bisch
Cited in: 1 Publication (1995)
Related Software:
Main Fields: Dynamical systems and ergodic theory (37-XX); Biology and other natural sciences (92-XX)

bsmKinetic

Software Authors:   Nazarov, Alexey E.; Fedunov, Roman G.; Ivanov, Anatoly I.
Cited in: 0 Publications
Related Software:
Main Fields:

noloco

Software Authors:   Dmitrii Nabok, Peter Puschnig, Claudia Ambrosch-Draxl
Cited in: 0 Publications
Related Software:
Main Fields:

POTLIB2Math

Software Authors:   Tagliaboschi, Aaron M.; Maddox, Jeremy B.
Cited in: 0 Publications
Related Software:
Main Fields:

ProtPOS

Software Authors:   Ngai, Jimmy C. F.; Mak, Pui-In; Siu, Shirley W. I.
Cited in: 0 Publications
Related Software:
Main Fields:

PyVCI

Software Authors:   Sibaev, Marat; Crittenden, Deborah L.
Cited in: 0 Publications
Related Software:
Main Fields:

TADSim

Software Authors:   Mniszewski, Susan M.; Junghans, Christoph; Voter, Arthur F.; Perez, Danny; Eidenbenz, Stephan J.
Cited in: 0 Publications
Related Software:
Main Fields: