pyTDC

library1.1.15pypypiunverified

Therapeutics Data Commons (TDC) is a unified, open-source framework for machine learning in therapeutics. It provides standardized datasets, benchmarks, and tools for tasks like drug-target interaction, ADMET prediction, and clinical trial outcome prediction. Current version 1.1.15, with frequent updates.

ai-ml data

pip install PyTDC

github ↗package ↗homepage ↗

INSTALL

IMPORT

SIG · PYTDC

pyTDC

ai-mlpythonv1.1.15

Install

—

Import

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Disk

—

Pass rate

0/ 10

Env Coverage0 / 10

glibc

3.9–3.13

musl

3.9–3.13

Install & Compatibility

Where this runs

tested against v? · pip install

Install × environment matrix

Each cell = how many times install + import succeeded across repeated harness runs. Partial = flaky.
glibc = Debian/Ubuntu slim · musl = Alpine Linux

musl

py 3.10–3.95 runs

build_error

glibc

py 3.10–3.95 runs

timeout

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

TDC

✓ from tdc import TDC

Main entry point for accessing datasets.

SinglePredDataset

✓ from tdc.single_pred import SinglePredDataset

✗ from tdc import SinglePredDataset

Older imports from top-level tdc may not work; use submodule.

DataLoader

✓ from tdc.utils import DataLoader

Utility for loading local files.

Load Caco2 permeability dataset and split into train/valid/test.

from tdc.single_pred import ADME data = ADME(name = 'Caco2_Wang') split = data.get_split(method = 'random', seed = 42) train, valid, test = split['train'], split['valid'], split['test'] print(train.head())

Debug

Known issues

breakingPython 3.7 support dropped after version 0.9.6. Use Python 3.8+.

fix

Upgrade Python to 3.8 or higher.

affects: >=1.0.0

gotchaData download may fail behind corporate firewall or with slow network. TDC downloads from remote servers.

fix

Set environment variable TDC_CACHE_DIR to a writable directory, or use data.DataLoader for custom files.

affects: all

gotchaThe split method 'random' produces same splits across runs without seed? Actually you must pass seed explicitly for reproducibility.

fix

Always provide seed parameter to get_split(method='random', seed=42).

affects: all

Upgrade

Version history

1.1.15latest on PyPI · released Mar 31, 2025

Audit

Dependencies

No dependency data recorded yet.

Agent activity

21 hits · last 30 days

node

OpenAI (training)

Resources

githubhttps://github.com/mims-harvard/TDC ↗

packagehttps://pypi.org/project/pyTDC/ ↗

homepagehttps://tdcommons.ai ↗