https://github.com/commons-research/ms2mol-evaluation
Science Score: 26.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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○Academic publication links
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○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (0.9%) to scientific vocabulary
Last synced: 10 months ago
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JSON representation
Repository
Basic Info
- Host: GitHub
- Owner: commons-research
- Language: Jupyter Notebook
- Default Branch: main
- Size: 3.65 MB
Statistics
- Stars: 0
- Watchers: 0
- Forks: 0
- Open Issues: 0
- Releases: 0
Created 12 months ago
· Last pushed 11 months ago
Metadata Files
Readme
README.md
bash
docker compose up -d
bash
uv run create_lotus_postgresdb.py
We are currently using MetFrag-2.6.6.
bash
uv run run_metfrag_lotus_eval.py --n_jobs N_CPUS
Owner
- Name: commons-research
- Login: commons-research
- Kind: organization
- Repositories: 3
- Profile: https://github.com/commons-research
GitHub Events
Total
- Push event: 1
Last Year
- Push event: 1
Committers
Last synced: 11 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Marco Visani | m****i@u****h | 18 |
Committer Domains (Top 20 + Academic)
unifr.ch: 1
Issues and Pull Requests
Last synced: 11 months ago
Dependencies
docker-compose.yml
docker
- postgres 15
pyproject.toml
pypi
- cache-decorator >=2.2.0
- downloaders >=1.0.22
- huggingface-hub >=0.33.0
- ipywidgets >=8.1.7
- matchms >=0.30.0
- matplotlib >=3.10.3
- pandarallel >=1.6.5
- pandas >=2.3.0
- polars >=1.31.0
- psycopg2 >=2.9.10
- pyarrow >=20.0.0
- pymongo >=4.13.2
- python-dotenv >=1.1.1
- rdkit >=2024.9.5
- scikit-fingerprints >=1.16.0
- tabulate >=0.9.0
uv.lock
pypi
- 161 dependencies