eosframes 1.1.0

Ersilia utilities for working with tabular output data

Manipulating Ersilia's dataframes

eosframes is a library for manipulating inputs and outputs from the Ersilia Model Hub. It splits, assembles, converts, scales, and summarises tabular model output files.

Installation

Python ≥ 3.8 is required.

pip install eosframes

Or from source:

git clone https://github.com/ersilia-os/eosframes.git
cd eosframes
pip install -e .

Quick start

Every file the library reads or writes encodes a model ID and version in its filename, e.g. eos4e40_v1.csv (model eos4e40, version v1).

# Slice a big input CSV into chunks for parallel model runs
eosframes split compounds.csv -o chunks/ --chunksize 10000

# Stitch the per-batch outputs back into one file
eosframes append eos4e40_v1_000.csv eos4e40_v1_001.csv -o eos4e40_v1.csv

# Combine outputs from multiple models, side by side
eosframes stack eos4e40_v1.csv eos7m30_v1.csv -o project_eosmix.csv

Everything the CLI does is also importable:

from eosframes import read_csv, hstack, fit, transform

df = read_csv("eos4e40_v1.csv")
params = fit(df)
scaled = transform(df, params)

Run eosframes --help (or eosframes <command> --help) for inline help.

Commands

Command	Purpose
split	Slice any CSV into chunk files for parallel model runs.
convert	CSV ↔ H5, or assemble a chunks folder.
append	Vertically concatenate batches from the same model.
dedupe	Drop duplicate rows by key.
stack	Horizontally combine outputs from different models.
unstack	Split a stacked file back into per-model files.
summary	Per-feature stats from a local file.
info	Model metadata fetched from GitHub.
columns	Feature definitions fetched from GitHub.
fit	Fit a type-aware robust scaler and save its parameters.
transform	Apply a saved scaler to a file.

See docs/cli.md for every flag, example, and refusal condition.

Documentation

• docs/cli.md — every CLI command, all flags, examples, and error patterns.
• docs/nomenclature.md — every recognised filename / directory pattern, the strict/lenient contract, and the two stack modes.
• docs/scaling.md — the type-aware robust scaler: column kinds, how each is picked, and quantization / imputation.

About the Ersilia Open Source Initiative

The Ersilia Open Source Initiative is a tech-nonprofit fueling sustainable research in the Global South. Ersilia's main asset is the Ersilia Model Hub, an open-source repository of AI/ML models for drug discovery.