196 related articles for article (PubMed ID: 33368350)
1. 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]
2. 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]
3. 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]
4. 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]
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. Neo: an object model for handling electrophysiology data in multiple formats.
Garcia S; Guarino D; Jaillet F; Jennings T; Pröpper R; Rautenberg PL; Rodgers CC; Sobolev A; Wachtler T; Yger P; Davison AP
Front Neuroinform; 2014; 8():10. PubMed ID: 24600386
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. TREXIO: A file format and library for quantum chemistry.
Posenitskiy E; Chilkuri VG; Ammar A; Hapka M; Pernal K; Shinde R; Landinez Borda EJ; Filippi C; Nakano K; Kohulák O; Sorella S; de Oliveira Castro P; Jalby W; Ríos PL; Alavi A; Scemama A
J Chem Phys; 2023 May; 158(17):. PubMed ID: 37144717
[TBL] [Abstract][Full Text] [Related]
9. HTSlib: C library for reading/writing high-throughput sequencing data.
Bonfield JK; Marshall J; Danecek P; Li H; Ohan V; Whitwham A; Keane T; Davies RM
Gigascience; 2021 Feb; 10(2):. PubMed ID: 33594436
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. 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]
12. The mwtab Python Library for RESTful Access and Enhanced Quality Control, Deposition, and Curation of the Metabolomics Workbench Data Repository.
Powell CD; Moseley HNB
Metabolites; 2021 Mar; 11(3):. PubMed ID: 33808985
[TBL] [Abstract][Full Text] [Related]
13. Nmrglue: an open source Python package for the analysis of multidimensional NMR data.
Helmus JJ; Jaroniec CP
J Biomol NMR; 2013 Apr; 55(4):355-67. PubMed ID: 23456039
[TBL] [Abstract][Full Text] [Related]
14. FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models.
Christensen AS; Hamelryck T; Jensen JH
PeerJ; 2014; 2():e277. PubMed ID: 24688855
[TBL] [Abstract][Full Text] [Related]
15. MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows.
Dral PO; Ge F; Hou YF; Zheng P; Chen Y; Barbatti M; Isayev O; Wang C; Xue BX; Pinheiro M; Su Y; Dai Y; Chen Y; Zhang L; Zhang S; Ullah A; Zhang Q; Ou Y
J Chem Theory Comput; 2024 Feb; 20(3):1193-1213. PubMed ID: 38270978
[TBL] [Abstract][Full Text] [Related]
16. The LONI Debabeler: a mediator for neuroimaging software.
Neu SC; Valentino DJ; Toga AW
Neuroimage; 2005 Feb; 24(4):1170-9. PubMed ID: 15670695
[TBL] [Abstract][Full Text] [Related]
17. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform.
Hanwell MD; Curtis DE; Lonie DC; Vandermeersch T; Zurek E; Hutchison GR
J Cheminform; 2012 Aug; 4(1):17. PubMed ID: 22889332
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Pyteomics--a Python framework for exploratory data analysis and rapid software prototyping in proteomics.
Goloborodko AA; Levitsky LI; Ivanov MV; Gorshkov MV
J Am Soc Mass Spectrom; 2013 Feb; 24(2):301-4. PubMed ID: 23292976
[TBL] [Abstract][Full Text] [Related]
20. psm_utils: A High-Level Python API for Parsing and Handling Peptide-Spectrum Matches and Proteomics Search Results.
Gabriels R; Declercq A; Bouwmeester R; Degroeve S; Martens L
J Proteome Res; 2023 Feb; 22(2):557-560. PubMed ID: 36508242
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]