Energy-Based Flow Matching for Generating 3D Molecular Structure (ICML2025)

Inference

The checkpoint for this project can be downloaded here. The inference can be run with the command

python -W ignore experiments/inference_se3_flows.py -cn inference_unconditional inference.num_gpus=2 inference.ckpt_path=./ckpt/epoch\\=599-step\\=293400.ckpt 

Acknowledgement

The majority of the code is from the original work. We sincerely appreciate the authors' contribution. For additional details regarding the environment and setup, please refer to the original repository.