These files contain ComENet codes for MD17/QM9/OC20 dataset. The scripts in comenet directory are for the MD17 and QM9 datasets to adapt to our training method. Since the OCP team have their own framework, I created a subdirectory ocp to put the corresponding files to run ComENet in that framework.
These files contain ComENet codes for MD17/QM9/OC20 dataset. The scripts in
comenetdirectory are for the MD17 and QM9 datasets to adapt to our training method. Since the OCP team have their own framework, I created a subdirectoryocpto put the corresponding files to run ComENet in that framework.