torchgfn
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Environment composer
Idea for v2: having a utility class to compose environments like
atoms_env = ...
lattice_env = ...
spacegroup_env = ...
crystal_env = ComposeEnvs(atoms_env, lattice_env, spacegroup_env, shuffle=True)
Where the shuffle
arg would mean that the state construction sequence does not have to be in any specific order (False
would mean first sample atoms, then lattice parameters then spacegroup, for each crystal sample)
This would enable people to split the complexity of some environments and make them more testable too