Science Score: 23.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
○codemeta.json file
-
○.zenodo.json file
-
✓DOI references
Found 2 DOI reference(s) in README -
✓Academic publication links
Links to: acs.org -
○Academic email domains
-
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (2.6%) to scientific vocabulary
Last synced: 10 months ago
·
JSON representation
Repository
Yet another ML method comparison
Basic Info
- Host: GitHub
- Owner: cthoyt
- License: mit
- Default Branch: main
- Size: 3.85 MB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Fork of PatWalters/yamc
Created over 3 years ago
· Last pushed almost 4 years ago
https://github.com/cthoyt/yamc/blob/main/
# yamc Yet another ML method comparison, a comparison of * Gaussian Process Regression (GP) * XGBoost (XGB) * FeedForward Neural Network (FFNN) * ChemProp (CP) We are only comparing algorithms for GP, XGB and FFNN. The same descriptors (RDKit Morgan2) are used for all three. Datasets are from [https://pubs.acs.org/doi/10.1021/acs.jcim.8b00542](https://pubs.acs.org/doi/10.1021/acs.jcim.8b00542) ## Procedure 1. fixed_comparison.py - runs GP, XGB, and FFNN, writes output to comparison.csv 2. run_chemprop.py - runs ChemProp (this takes several days, I could probably make it faster) 3. analyze_chemprop.py - gathers ouptut from ChemProp and writes output to cp_comparison.csv 4. analysis.ipynb - reads comparison.csv and cp_comparison.csv and generates plots ## Random Splits   ## Scaffold Splits  
Owner
- Name: Charles Tapley Hoyt
- Login: cthoyt
- Kind: user
- Location: Bonn, Germany
- Company: RWTH Aachen University
- Website: https://cthoyt.com
- Repositories: 489
- Profile: https://github.com/cthoyt