PyDigger - unearthing stuff about Python


NameVersionSummarydate
aquasol 1.6.0 Thermodynamic and physico-chemical properties for water and aqueous solutions 2024-03-19 15:46:43
octadist 3.1.0 OctaDist: A tool for calculating distortion parameters in molecule. 2024-03-19 13:47:23
kda 0.3.0 Kinetic Diagram Analysis tools 2024-03-19 02:29:07
gopem 0.8 GOPEM is a graphical user interface of OPEM 2024-03-17 04:01:14
opem 1.4 Open Source PEM Cell Simulation Tool 2024-03-16 16:21:33
pylattica 0.1.3 pylattica is a package for fast prototyping of lattice models for chemistry and materials science 2024-03-13 18:40:32
svante 0.4.1 Configurable Arrhenius plots with uncertainties and ratios 2024-03-11 22:38:19
cprex 0.3.0 Chemical Properties Relation Extraction 2024-03-08 16:47:08
acepython 0.0.14 Python wrapper for the FORTRAN ACE code. 2024-03-08 12:20:43
prolif 2.0.2 Interaction Fingerprints for protein-ligand complexes and more 2024-03-06 23:38:18
chemprop 1.7.0 Molecular Property Prediction with Message Passing Neural Networks 2024-03-04 23:52:00
fplore 0.6 FPLO run evaluation 2024-03-04 14:38:49
pyvalem 2.5.16 A package for managing simple chemical species and states 2024-03-01 16:46:54
load-atoms 0.2.12 Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS) 2024-03-01 09:17:12
shakenbreak 3.3.1 Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations. 2024-02-29 22:42:03
cbsyst 0.4.9 Tools for calculating ocean C and B chemistry. 2024-02-29 18:14:25
carbspec 0.0.2 Tools for calculating pH and Alkalinity from spectrophotometric data. 2024-02-28 14:31:21
periodic-table-cli 2.1.1 An interactive Periodic Table of Elements app for the console! 2024-02-25 17:29:15
qiskit-nature-pyscf 0.4.0 Qiskit Nature PySCF: Third-party integration plugin of Qiskit Nature + PySCF. 2024-02-23 13:38:34
qiskit-nature 0.7.2 Qiskit Nature: A library of quantum computing chemistry/physics experiments 2024-02-23 10:20:50
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