From b28c5a4f3cf7275485d83ee000dcf0f067ef3168 Mon Sep 17 00:00:00 2001 From: Alex Date: Thu, 25 Jan 2024 18:31:26 -0500 Subject: [PATCH] Update scripts/crystal/eval_crystalgflownet.py --- scripts/crystal/eval_crystalgflownet.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scripts/crystal/eval_crystalgflownet.py b/scripts/crystal/eval_crystalgflownet.py index 6dd514a02..60b7f55a7 100644 --- a/scripts/crystal/eval_crystalgflownet.py +++ b/scripts/crystal/eval_crystalgflownet.py @@ -195,7 +195,7 @@ def main(args): min_angle=0.0, max_angle=1.0, ) - energies = env.oracle(env.statebatch2proxy(x_sampled)) + energies = env.oracle(env.states2proxy(x_sampled)) dct = {"energy": energies.tolist()} pickle.dump(dct, open(tmp_dir / f"randomcrystals_samples_{i}.pkl", "wb"))