115 related articles for article (PubMed ID: 38748031)
1. Grid: A Python library for molecular integration, interpolation, differentiation, and more.
Tehrani A; Yang XD; Martínez-González M; Pujal L; Hernández-Esparza R; Chan M; Vöhringer-Martinez E; Verstraelen T; Ayers PW; Heidar-Zadeh F
J Chem Phys; 2024 May; 160(17):. PubMed ID: 38748031
[TBL] [Abstract][Full Text] [Related]
2. IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
Verstraelen T; Adams W; Pujal L; Tehrani A; Kelly BD; Macaya L; Meng F; Richer M; Hernández-Esparza R; Yang XD; Chan M; Kim TD; Cools-Ceuppens M; Chuiko V; Vöhringer-Martinez E; Ayers PW; Heidar-Zadeh F
J Comput Chem; 2021 Mar; 42(6):458-464. PubMed ID: 33368350
[TBL] [Abstract][Full Text] [Related]
3. The tale of HORTON: Lessons learned in a decade of scientific software development.
Chan M; Verstraelen T; Tehrani A; Richer M; Yang XD; Kim TD; Vöhringer-Martinez E; Heidar-Zadeh F; Ayers PW
J Chem Phys; 2024 Apr; 160(16):. PubMed ID: 38651814
[TBL] [Abstract][Full Text] [Related]
4. Pytim: A python package for the interfacial analysis of molecular simulations.
Sega M; Hantal G; Fábián B; Jedlovszky P
J Comput Chem; 2018 Sep; 39(25):2118-2125. PubMed ID: 30306571
[TBL] [Abstract][Full Text] [Related]
5. Fanpy: A python library for prototyping multideterminant methods in ab initio quantum chemistry.
Kim TD; Richer M; Sánchez-Díaz G; Miranda-Quintana RA; Verstraelen T; Heidar-Zadeh F; Ayers PW
J Comput Chem; 2023 Feb; 44(5):697-709. PubMed ID: 36440947
[TBL] [Abstract][Full Text] [Related]
6. Scoria: a Python module for manipulating 3D molecular data.
Ropp P; Friedman A; Durrant JD
J Cheminform; 2017 Sep; 9(1):52. PubMed ID: 29086076
[TBL] [Abstract][Full Text] [Related]
7. pypet: A Python Toolkit for Data Management of Parameter Explorations.
Meyer R; Obermayer K
Front Neuroinform; 2016; 10():38. PubMed ID: 27610080
[TBL] [Abstract][Full Text] [Related]
8. A Python library for FAIRer access and deposition to the Metabolomics Workbench Data Repository.
Smelter A; Moseley HNB
Metabolomics; 2018; 14(5):64. PubMed ID: 29706851
[TBL] [Abstract][Full Text] [Related]
9. SciPy 1.0: fundamental algorithms for scientific computing in Python.
Virtanen P; Gommers R; Oliphant TE; Haberland M; Reddy T; Cournapeau D; Burovski E; Peterson P; Weckesser W; Bright J; van der Walt SJ; Brett M; Wilson J; Millman KJ; Mayorov N; Nelson ARJ; Jones E; Kern R; Larson E; Carey CJ; Polat İ; Feng Y; Moore EW; VanderPlas J; Laxalde D; Perktold J; Cimrman R; Henriksen I; Quintero EA; Harris CR; Archibald AM; Ribeiro AH; Pedregosa F; van Mulbregt P;
Nat Methods; 2020 Mar; 17(3):261-272. PubMed ID: 32015543
[TBL] [Abstract][Full Text] [Related]
10. MEG and EEG data analysis with MNE-Python.
Gramfort A; Luessi M; Larson E; Engemann DA; Strohmeier D; Brodbeck C; Goj R; Jas M; Brooks T; Parkkonen L; Hämäläinen M
Front Neurosci; 2013 Dec; 7():267. PubMed ID: 24431986
[TBL] [Abstract][Full Text] [Related]
11. NeuroPycon: An open-source python toolbox for fast multi-modal and reproducible brain connectivity pipelines.
Meunier D; Pascarella A; Altukhov D; Jas M; Combrisson E; Lajnef T; Bertrand-Dubois D; Hadid V; Alamian G; Alves J; Barlaam F; Saive AL; Dehgan A; Jerbi K
Neuroimage; 2020 Oct; 219():117020. PubMed ID: 32522662
[TBL] [Abstract][Full Text] [Related]
12. Biotite: a unifying open source computational biology framework in Python.
Kunzmann P; Hamacher K
BMC Bioinformatics; 2018 Oct; 19(1):346. PubMed ID: 30285630
[TBL] [Abstract][Full Text] [Related]
13. A fast and efficient python library for interfacing with the Biological Magnetic Resonance Data Bank.
Smelter A; Astra M; Moseley HN
BMC Bioinformatics; 2017 Mar; 18(1):175. PubMed ID: 28302053
[TBL] [Abstract][Full Text] [Related]
14. PyHMMER: a Python library binding to HMMER for efficient sequence analysis.
Larralde M; Zeller G
Bioinformatics; 2023 May; 39(5):. PubMed ID: 37074928
[TBL] [Abstract][Full Text] [Related]
15. Pygenomics: manipulating genomic intervals and data files in Python.
Tamazian G; Cherkasov N; Kanapin A; Samsonova A
Bioinformatics; 2023 Jun; 39(6):. PubMed ID: 37228014
[TBL] [Abstract][Full Text] [Related]
16. Graph-based active learning of agglomeration (GALA): a Python library to segment 2D and 3D neuroimages.
Nunez-Iglesias J; Kennedy R; Plaza SM; Chakraborty A; Katz WT
Front Neuroinform; 2014; 8():34. PubMed ID: 24772079
[TBL] [Abstract][Full Text] [Related]
17. PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python.
De Santis M; Storchi L; Belpassi L; Quiney HM; Tarantelli F
J Chem Theory Comput; 2020 Apr; 16(4):2410-2429. PubMed ID: 32101419
[TBL] [Abstract][Full Text] [Related]
18. CBMOS: a GPU-enabled Python framework for the numerical study of center-based models.
Mathias S; Coulier A; Hellander A
BMC Bioinformatics; 2022 Jan; 23(1):55. PubMed ID: 35100968
[TBL] [Abstract][Full Text] [Related]
19. Wyrm: A Brain-Computer Interface Toolbox in Python.
Venthur B; Dähne S; Höhne J; Heller H; Blankertz B
Neuroinformatics; 2015 Oct; 13(4):471-86. PubMed ID: 26001643
[TBL] [Abstract][Full Text] [Related]
20. SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State.
Mejía A; Müller EA; Chaparro Maldonado G
J Chem Inf Model; 2021 Mar; 61(3):1244-1250. PubMed ID: 33595304
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
