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updating README and docs [skip ci]
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jannisborn committed Oct 16, 2023
1 parent 7d20e15 commit 94f0091
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -44,7 +44,7 @@ conda activate gt4sd
pip install gt4sd
```

**NOTE 1:** By default `gt4sd` is installed with CPU requirements. For GPU usage replace `conda env create -f conda_gpu.yml` with:
**NOTE 1:** By default `gt4sd` is installed with CPU requirements. For GPU usage replace `conda env create -f conda.yml` with:
```sh
conda env create -f conda_gpu.yml
```
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Expand Up @@ -68,17 +68,16 @@ def train( # type: ignore
) -> None:
"""Generic training function for training a Regression Transformer (RT) model.
For details see:
Born, J., & Manica, M. (2022). Regression Transformer: Concurrent Conditional
Generation and Regression by Blending Numerical and Textual Tokens.
`ICLR Workshop on Machine Learning for Drug Discovery`.
Born, J., & Manica, M. (2023). Regression Transformer enables concurrent sequence
regression and generation for molecular language modelling.
`Nature Machine Intelligence`, 5(4), 432-444.
Args:
training_args: training arguments passed to the configuration.
model_args: model arguments passed to the configuration.
dataset_args: dataset arguments passed to the configuration.
"""
try:

params = {**training_args, **dataset_args, **model_args}
# Setup logging
logging.basicConfig(
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