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License:
MIT License Copyright (c) 2024 Maximilian Schuh Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to ...
Summary:
Python package for TwinBooster: Synergising Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery
Latest version:
0.3.1
Required dependencies:
configspace
|
datasets
|
joblib
|
jupyterlab
|
lightgbm
|
matplotlib
|
numpy
|
optuna
|
pandas
|
pathlib
|
pynvml
|
rdkit
|
scikit-learn
|
scipy
|
smac
|
torch
|
tqdm
|
transformers
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