torchgfn

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Move the environments outside of the source code

3

saleml

Add molecules environment

9

Implement the molecules environment following the current API. More functions might be needed !

saleml

Run GPU tests

1

https://cirun.io/ have a free Open Source plan for instance

vict0rsch

Copied from https://github.com/saleml/torchgfn/pull/66 - Simplify the code. I don't think we need the BoxPFEstimator and BoxPFNeuralNet to be two distinct classes. It would be easier if all the logical existed...

saleml

Use `torch.nested.nested_tensor` when it's not a prototype anymore

3

https://pytorch.org/docs/stable/nested.html#module-torch.nested

vict0rsch

We should take inspiration from these folks https://torchprotein.ai/ I can touch base to see how they built all of this stuff. Very pro.

josephdviviano

josephdviviano

`module.parameters()` will by default return both of these as a single list / dict, but it is common to give a unique learning rate to the `logZ` parameter (for example)....

josephdviviano

josephdviviano

As was done in https://github.com/saleml/torchgfn/pull/79 for the `master` branch: ``` def test_extend_trajectories_on_cuda(): import os import sys sys.path.insert(0, os.path.abspath("__file__" + "/../")) from src.gfn.containers.trajectories import Trajectories as Traj torch.manual_seed(0) env = HyperGrid(ndim=4,...

saleml