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update readme
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acharkq committed Feb 22, 2024
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Expand Up @@ -27,10 +27,22 @@ Authors: Zhiyuan Liu, Sihang Li, Yanchen Luo, Hao Fei, Yixin Cao, Kenji Kawaguch

## Requirements

See `environment.yml`. Run the following command to create a new anaconda environment `molca`:
You can create the environment for MolCA running the following command in order:

* conda create -n molca python=3.8
* conda activate molca
* conda install pytorch==2.0.1 torchvision==0.15.2 torchaudio==2.0.2 pytorch-cuda=11.7 -c pytorch -c nvidia
* conda install pyg -c pyg
* pip install git+https://github.com/thunlp/OpenDelta.git
* pip install rouge_score nltk ogb peft rdkit salesforce-lavis
* pip install -U transformers pytorch-lightning
* pip install deepspeed
* Download nltk corpus:

```bash
conda env create -f environment.yml
```
import nltk
nltk.download('wordnet')
```

## Dataset
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