PyDigger - unearthing stuff about Python


NameVersionSummarydate
provesid 0.1.0 A Python package for chemical identifier resolution and experimental property extraction 2025-08-26 08:41:57
ChemInformant 2.4.1 A robust and high-throughput Python client for the PubChem API, designed for automated data retrieval and analysis 2025-08-24 09:31:46
pybacting 0.2.15 A python wrapper around Bacting 2025-08-23 10:35:02
ms2lda 2.0.1 Unsupervised Substructure Discovery using Topic Modelling with Automated Annotation. 2025-08-15 09:50:00
biochemical-data-connectors 3.2.2 A Python package to extract chemical, biochemical, and bioactivity data from public databases like ORD, ChEMBL and PubChem. 2025-08-05 00:28:55
scaffound 0.0.1 Python implementation of Dompé's 'Molecular Anatomy' 2025-08-04 14:46:15
prolif-lite 2.1.3 Interaction Fingerprints for protein-ligand docking analysis (MDAnalysis-free version) 2025-08-02 16:02:11
farscore 1.0.0 FARScore: A Synthetic Accseeibility Predictor based Fragment Assembly autoRegressive pretrain 2025-07-24 09:40:37
molscraper-tool 1.0.0 Chemical data extraction tool for researchers and chemists 2025-07-23 04:09:52
ChemLogic 0.1.1 ChemLogic is a neurosymbolic framework that integrates relational logic syntax with various graph neural network (GNN) architectures to model chemical knowledge. It encodes functional groups and molecular subgraph patterns into a differentiable, explainable architecture, enabling the construction of interpretable and modular GNN-based models for chemical reasoning. 2025-07-11 19:48:37
solphedge 0.0.4.post3 pH-dependent solubility predictions for small molecules 2025-07-09 21:35:32
almos-kit 1.0.0 Active Learning Molecular Selection 2025-07-09 09:49:35
molecule-benchmarks 0.1.12 A comprehensive benchmark suite for evaluating generative models for molecules 2025-07-08 15:49:38
molactivity 3.0 Molecular activity prediction using transformer neural networks with 5 operational modes 2025-07-08 10:37:02
nonadditivity 2.0.1 A program to find key complex patterns in SAR data 2025-04-29 15:37:05
deepmol 1.1.12 DeepMol: a python-based machine and deep learning framework for drug discovery 2025-03-20 15:06:52
biocatalyzer 0.1.2b0 BioCatalyzer: a rule-based tool to predict compound metabolism 2025-02-12 10:42:44
biosynfoni 1.0.0 a *biosynformatic* fingerprint to explore natural product distance and diversity 2025-02-06 04:58:46
smizip 2.0.1 An implementation of Roger Sayle's SmiZip algorithm for compressing short strings 2025-02-01 16:43:40
deepmol-models 0.0.5 DeepMol Case Studies 2025-01-23 19:58:43
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