fix ckpt tests

Author: lucidrains

alphafold3_pytorch/trainer.py

@@ -112,6 +112,7 @@ def __init__(
         accelerator = 'auto',
         checkpoint_every: int = 1000,
         checkpoint_folder: str = './checkpoints',
+        overwrite_checkpoints: bool = False,
         fabric_kwargs: dict = dict(),
         ema_kwargs: dict = dict()
     ):
@@ -199,6 +200,7 @@ def __init__(
         # checkpointing logic
 
         self.checkpoint_every = checkpoint_every
+        self.overwrite_checkpoints = overwrite_checkpoints
         self.checkpoint_folder = Path(checkpoint_folder)
 
         self.checkpoint_folder.mkdir(exist_ok = True, parents = True)
@@ -367,7 +369,9 @@ def __call__(
             self.wait()
 
             if self.is_main and divisible_by(self.steps, self.checkpoint_every):
-                self.save(self.checkpoint_folder / f'af3.ckpt.{self.steps}.pt')
+                checkpoint_path = self.checkpoint_folder / f'af3.ckpt.{self.steps}.pt'
+
+                self.save(checkpoint_path, overwrite = self.overwrite_checkpoints)
 
             self.wait()
 

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "alphafold3-pytorch"
-version = "0.0.61"
+version = "0.0.62"
 description = "Alphafold 3 - Pytorch"
 authors = [
     { name = "Phil Wang", email = "[email protected]" }

tests/test_trainer.py

@@ -1,6 +1,8 @@
 import os
 os.environ['TYPECHECK'] = 'True'
 
+from pathlib import Path
+
 import pytest
 import torch
 from torch.utils.data import Dataset, DataLoader
@@ -133,7 +135,8 @@ def test_trainer():
         batch_size = 1,
         valid_every = 1,
         grad_accum_every = 2,
-        checkpoint_every = 1
+        checkpoint_every = 1,
+        overwrite_checkpoints = True
     )
 
     trainer()