AlphaFold Trainer

Motivation

Train AlphaFold related models with easy.

FAQ

1. How to run it?

• Clone the code.

$ git clone git@github.com:bigict/alphafold_trainer.git
$ cd alphafold_trainer
$ git submodule update --init --recursive --remote

• Install dependencies.

$ conda create -n alphafold2 python=3.9
$ conda activate alphafold2
$ bash install_dependencies.sh

• Run test.

$ export PYTHONPATH=`pwd`/alphafold

$ XLA_PYTHON_CLIENT_PREALLOCATE=false python train.py

or run with multi-gpus

$ MPI4JAX_USE_CUDA_MPI=1 XLA_PYTHON_CLIENT_PREALLOCATE=false mpirun --mca opal_cuda_support 1 -n 1 python train.py --use_mpi