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Docs update (#244)
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* update docs

* update docs install
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emotionor authored Jul 1, 2024
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# Installation

## Overview
## Install
- pytorch is required, please install pytorch according to your environment. if you are using cuda, please install pytorch with cuda. More details can be found at https://pytorch.org/get-started/locally/
- currently, rdkit needs with numpy<2.0.0, please install rdkit with numpy<2.0.0.

[Uni-Mol](https://github.com/dptech-corp/Uni-Mol/tree/main)
now can be installed from source.
```shell
## unicore and other dependencies installation
### Option 1: Installing from PyPi (Recommended)

```bash
pip install unimol_tools
```

We recommend installing ```huggingface_hub``` so that the required unimol models can be automatically downloaded at runtime! It can be install by

```bash
pip install huggingface_hub
```

`huggingface_hub` allows you to easily download and manage models from the Hugging Face Hub, which is key for using UniMol models.

### Option 2: Installing from source

```python
## Dependencies installation
pip install -r requirements.txt
## clone repo

## Clone repository
git clone https://github.com/dptech-corp/Uni-Mol.git
cd Uni-Mol/unimol_tools/unimol_tools
cd Uni-Mol/unimol_tools

## download pretrained weights
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/mol_pre_all_h_220816.pt
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/mol_pre_no_h_220816.pt
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/pocket_pre_220816.pt
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/mof_pre_no_h_CORE_MAP_20230505.pt
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/mp_all_h_230313.pt
wget https://github.com/dptech-corp/Uni-Mol/releases/download/v0.1/oled_pre_no_h_230101.pt
## Install
python setup.py install
```

mkdir -p weights
mv *.pt weights/
### Models in Huggingface

## install
cd ..
python setup.py install
The UniMol pretrained models can be found at [dptech/Uni-Mol-Models](https://huggingface.co/dptech/Uni-Mol-Models/tree/main).

If the download is slow, you can use other mirrors, such as:

```bash
export HF_ENDPOINT=https://hf-mirror.com
```

Setting the `HF_ENDPOINT` environment variable specifies the mirror address for the Hugging Face Hub to use when downloading models.

## Bohrium notebook

Uni-Mol images can be avaliable on the online notebook platform [Bohirum notebook](https://nb.bohrium.dp.tech/).
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