Topic: "functional-groups"
mpecchi/gcms_data_analysis
Tool to analyze multiple GCMS qualitative tables
Language: Python - Size: 2.22 MB - Last synced at: 23 days ago - Pushed at: 8 months ago - Stars: 4 - Forks: 1
mpecchi/hplc_data_analysis
Automating HPLC data analysis in Python
Language: Python - Size: 826 KB - Last synced at: about 1 month ago - Pushed at: 10 months ago - Stars: 3 - Forks: 1
klausweinbauer/FGUtils
Utility library to query functional group properties in molecules.
Language: Python - Size: 10.3 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 1 - Forks: 0
kmlefran/subproptools
Tools developed by KLG - parsing of .sum files in qtaimExtract, reorientation in subreor
Language: Python - Size: 21.9 MB - Last synced at: 12 days ago - Pushed at: 10 months ago - Stars: 0 - Forks: 0
zahta/funqg Fork of hhaji/funqg
This repository contains codes and data related to the paper "FunQG: Molecular Representation Learning Via Quotient Graphs". A pre-print version of this paper is currently available at
Language: Python - Size: 339 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
