skills/claude-scientific-skills
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Updated installation instructions for all skills to always use uv pip install

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Timothy Kassis
2025-11-16 15:34:52 -08:00
parent d94f21c51f
commit 2fc3e6a88e
82 changed files with 179 additions and 290 deletions
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scientific-skills/molfeat/SKILL.md
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@@ -23,14 +23,10 @@ This skill should be used when working with:
## Installation
```bash
# Recommended: Using conda/mamba
mamba install -c conda-forge molfeat
# Alternative: Using pip
pip install molfeat
uv pip install molfeat
# With all optional dependencies
pip install "molfeat[all]"
uv pip install "molfeat[all]"
```
**Optional dependencies for specific featurizers:**
@@ -489,8 +485,8 @@ Process in chunks or use streaming approaches for datasets > 100K molecules.
### Pretrained Model Dependencies
Some models require additional packages. Install specific extras:
```bash
pip install "molfeat[transformer]" # For ChemBERTa/ChemGPT
pip install "molfeat[dgl]" # For GIN models
uv pip install "molfeat[transformer]" # For ChemBERTa/ChemGPT
uv pip install "molfeat[dgl]" # For GIN models
```
### Reproducibility