Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "high-throughput" keyword

Top 6.6% on pypi.org
jobflow 0.1.17
jobflow is a library for writing computational workflows
20 versions - Latest release: 4 months ago - 6 dependent packages - 2 dependent repositories - 4.93 thousand downloads last month - 87 stars on GitHub - 1 maintainer
kelpie 0.6.2
A lean Python module for cluster-side management of VASP runs
7 versions - Latest release: about 5 years ago - 1 dependent repositories - 39 downloads last month - 1 stars on GitLab.com - 1 maintainer
httk 1.2.0
The high-thoughput toolkit: workflow, project management, storage, and data analysis for large-sc...
2 versions - Latest release: over 3 years ago - 1 dependent repositories - 20 downloads last month - 12 stars on GitHub - 1 maintainer
rl-warp-drive 2.7.1
Framework for fast end-to-end multi-agent reinforcement learning on GPUs.
34 versions - Latest release: about 1 month ago - 1 dependent repositories - 505 downloads last month - 433 stars on GitHub - 3 maintainers
Top 5.5% on pypi.org
pymatgen-analysis-defects 2024.5.11
Pymatgen extension for defects analysis
50 versions - Latest release: 9 days ago - 10 dependent packages - 2 dependent repositories - 5.78 thousand downloads last month - 31 stars on GitHub - 1 maintainer
hitips 1.0.6
HiTIPS: High-Throughput Image Processing Software for FISH data analysis
33 versions - Latest release: 13 days ago - 338 downloads last month - 1 stars on GitHub - 1 maintainer
laocoon 0.1.1
Automatically and efficiently count the number of cells in a fluorescently stained image.
2 versions - Latest release: almost 5 years ago - 1 dependent repositories - 13 downloads last month - 0 stars on GitHub - 1 maintainer
spindry 0.0.91
Low-cost host-guest conformer generation
10 versions - Latest release: about 2 years ago - 3 dependent repositories - 742 downloads last month - 3 stars on GitHub - 1 maintainer
Top 6.2% on pypi.org
pycondor 0.6.0
Python utility for HTCondor
11 versions - Latest release: almost 2 years ago - 10 dependent packages - 13 dependent repositories - 5.14 thousand downloads last month - 23 stars on GitHub - 4 maintainers
mchammer 1.0.4
Implementation of cheap Monte Carlo optimisation of bonds in molecules
7 versions - Latest release: almost 3 years ago - 3 dependent repositories - 650 downloads last month - 8 stars on GitHub - 1 maintainer
aim2dat 0.1.0
Automated Ab-Initio Materials Modeling and Data Analysis Toolkit: Python library for pre-, post-p...
1 version - Latest release: 3 months ago - 29 downloads last month - 3 stars on GitHub - 1 maintainer
atomate2-turbomole 0.1.1
The atomate2-turbomole package is a workflow package for Turbomole
2 versions - Latest release: about 2 months ago - 32 downloads last month - 4 stars on GitHub - 1 maintainer
wfacer 0.0.0
An automated workflow for constructing cluster expansion.
1 version - Latest release: 8 months ago - 12 downloads last month - 124 stars on GitHub - 1 maintainer
vasp-manager 1.1.4
A simple package to run and analyze VASP calculations
10 versions - Latest release: 4 months ago - 93 downloads last month - 4 stars on GitHub - 1 maintainer
hts-tools 0.0.3
Parsing and analysing platereader absorbance and fluorescence data.
4 versions - Latest release: 6 months ago - 1 dependent repositories - 34 downloads last month - 0 stars on GitHub - 1 maintainer
htmacat 1.0.5
A high-throughput modeling, calculation, and analysis framework for catalytic reaction processes.
2 versions - Latest release: 12 months ago - 17 downloads last month - 8 stars on GitHub - 1 maintainer
Top 3.6% on pypi.org
flexgen 0.1.8
Running large language models like OPT-175B/GPT-3 on a single GPU. Focusing on high-throughput la...
9 versions - Latest release: 7 months ago - 77 dependent repositories - 1.01 thousand downloads last month - 9,004 stars on GitHub - 1 maintainer
mirzai 0.4.0
Prediction of Exchangeable Potassium in Soil through Mid-Infrared Spectroscopy and Deep Learning:...
20 versions - Latest release: over 1 year ago - 161 downloads last month - 2 stars on GitHub - 1 maintainer
umitools 0.3.4
A toolset for handling sequencing data with unique molecular identifiers (UMIs)
3 versions - Latest release: about 6 years ago - 2 dependent repositories - 40 downloads last month - 12 stars on GitHub - 1 maintainer
systax 0.1.3
WARNING: This package has been renamed to MatID: https://singroup.github.io/matid/
1 version - Latest release: over 5 years ago - 1 dependent repositories - 14 downloads last month - 23 stars on GitHub - 1 maintainer
shapeout 1.0.10
User interface for real-time deformability cytometry (RT-DC)
30 versions - Latest release: about 4 years ago - 1 dependent package - 1 dependent repositories - 244 downloads last month - 5 stars on GitHub - 2 maintainers
quacc 0.8.0
A platform to enable high-throughput, database-driven quantum chemistry and computational materia...
55 versions - Latest release: 8 days ago - 1 dependent repositories - 802 downloads last month - 136 stars on GitHub - 1 maintainer
pyrcos 0.0.1
Python hi-level interface for circos
2 versions - Latest release: 9 months ago - 2 dependent repositories - 6 downloads last month - 1 maintainer
pyfgcz 3.0.1
PyFGCZ contains BioBeamer and FCC python code.
5 versions - Latest release: over 4 years ago - 1 dependent repositories - 23 downloads last month - 2 stars on GitHub - 1 maintainer
poremapper 0.0.1
cavity shape and size mapping by growing a guest inside a host
2 versions - Latest release: over 2 years ago - 1 dependent repositories - 26 downloads last month - 7 stars on GitHub - 1 maintainer
ont-tombo 1.5.1
Analysis of raw nanopore sequencing data.
12 versions - Latest release: about 4 years ago - 1 dependent repositories - 145 downloads last month - 220 stars on GitHub - 1 maintainer
nanoraw 0.4.2
Analysis of nanopore sequencing data.
8 versions - Latest release: 9 months ago - 1 dependent repositories - 16 downloads last month - 46 stars on GitHub - 1 maintainer
mol-ellipsize 1.0.2
Ellipsoid fitting over conformer ensembles for calculating size.
3 versions - Latest release: almost 3 years ago - 2 dependent repositories - 29 downloads last month - 12 stars on GitHub - 1 maintainer
Top 9.4% on pypi.org
masci-tools 0.15.0
masci-tools is a collection of tools for materials science.
65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
iprpy 0.11.7
Interatomic Potential Repository Python Property Calculations and Tools
12 versions - Latest release: 13 days ago - 1 dependent repositories - 175 downloads last month - 20 stars on GitHub - 1 maintainer
htdefects 0.3.0
A Python library for high-throughput defect calculations
3 versions - Latest release: about 5 years ago - 1 dependent repositories - 20 downloads last month - 1 maintainer
freeclimber 0.3.1
FreeClimber is a Python-based background subtraction, particle detector used to estimate the velo...
4 versions - Latest release: about 4 years ago - 1 dependent repositories - 37 downloads last month - 12 stars on GitHub - 1 maintainer
driven 0.0.3
driven - data-driven constraint-based analysis
5 versions - Latest release: over 7 years ago - 7 dependent repositories - 48 downloads last month - 3 maintainers
aiida-kkr 2.1.0
AiiDA plugin for the JuKKR codes
28 versions - Latest release: 6 months ago - 1 dependent repositories - 532 downloads last month - 14 stars on GitHub - 1 maintainer
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...
15 versions - Latest release: about 1 year ago - 2 dependent packages - 1 dependent repositories - 266 downloads last month - 13 stars on GitHub - 2 maintainers
Top 7.4% on pypi.org
lobsterpy 0.4.4
Package for automatic bonding analysis with Lobster/VASP
24 versions - Latest release: 19 days ago - 1 dependent package - 3 dependent repositories - 1.34 thousand downloads last month - 63 stars on GitHub - 2 maintainers
Top 7.0% on pypi.org
atomate2 0.1.14
atomate2 is a library of materials science workflows
15 versions - Latest release: 3 months ago - 2 dependent packages - 2 dependent repositories - 735 downloads last month - 124 stars on GitHub - 1 maintainer
Related Keywords
dft 10 workflow 8 automated 7 computational-materials-science 5 python 5 materials-science 4 analysis 4 materials-informatics 3 bioinformatics 3 aiida 3 genome 3 chemistry 3 ab-initio 3 data-analysis 3 science 3 automation 3 vasp 3 judft 3 all-electron 3 forschungszentrum-juelich 3 electronic-structure 3 sequencing 3 band-structure 3 density-functional-theory 3 defects 3 atomistic 2 molecular-simulation 2 materials 2 utility 2 correction 2 nanopore 2 material science 2 porous-materials 2 database 2 assay 2 high-throughput-computing 2 python3 2 DFT 2 workflows 2 condensed-matter-physics 2 quantification 2 full-potential 2 deep-learning 2 magnetism 2 bonding-analysis 1 lobsteroutput 1 density-of-states 1 host-guest 1 spintronics 1 plane-wave 1 parsing 1 toolkit 1 atom 1 atomic 1 molecular dynamics 1 interatomic potential 1 Drosophila 1 flapw 1 quantum-mechanics 1 data-processing 1 robot 1 staging-algorithm 1 workflow-engine 1 cage 1 molecular-modeling 1 epigenetics 1 molecular-size 1 molecules 1 rdkit 1 plots 1 fitting 1 plotting 1 visualization 1 computational-chemistry 1 chemical-bonding 1 drosophila 1 inpgen 1 drosophila-behaviour 1 fleur 1 flies 1 local-linear-regression 1 locomotion 1 particle-detection 1 rapid-iterative-negative-geotaxis 1 scientific-research 1 scientific-software 1 biology 1 superconductivity 1 metabolism 1 omics 1 kkr 1 coherent-potential-approximation 1 greens-functions 1 multiple-scattering 1 melanogaster 1 climbing 1 negative 1 geotaxis 1 background 1 subtraction 1