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JocelynSong/IsEM-Pro

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Installation

The dependencies can be set up using the following commands:
conda create -n isem-pro python=3.8 -y 
conda activate isem-pro 
conda install pytorch=1.10.2 cudatoolkit=11.3 -c pytorch -y 
conda install numpy=1.19 pandas=1.3 -y 

Clone this repository by the following commands:

git clone git@github.com:JocelynSong/IsEM-Pro.git
cd IsEM-Pro

Usage

Preprocess

Training MRFs (taking avGFP as an example):
mkdir avGFP
bash run_mrf.sh avGFP

Training

First, train VAE model:
bash train_vae_mrf.sh data_path avGFP outout_path

Then train the latent generative model using MCEM:

bash train_is_vae.sh data_path avGFP outout_path first_stage_path

The sample number (--max-iteration-sample) is 10% of the original training data size.

Inference

bash generate_vae.sh data_path avGFP outout_path generation_path

generation_path/protein.txt is the final output file

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