Comments (3)
Hello @zhenzey
I have not tried the whole process yet, but I think you can follow the instructions on preparing the GEOM-Drugs dataset (https://github.com/ehoogeboom/e3_diffusion_for_molecules/tree/main/data/geom) to figure out how to make customized data usable in the framework.
Hope it helps,
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Thanks for sharing the code! I was wondering whether it is possible to train the diffusion model on our own graph dataset? If so, can you provide an example?
Hello, I also want to train on my own dataset, I would like to know if you have succeeded in training this model on your own dataset?
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Definitely possible, should not be crazy complicated. Unfortunately I don't have time to write supporting code/documentation for this.
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Related Issues (20)
- How many samples are generated in the GEOM-drugs experiment? HOT 1
- Path to pretrained QM9 property classifiers is missing HOT 2
- Question regarding the dimension of QM9 and input to property classifier HOT 2
- Questions regarding dataset error HOT 2
- AssertionError: Variables not masked properly. HOT 1
- Turning off equivariance? HOT 3
- energies for the molecules generated HOT 1
- Question about the code HOT 1
- Training Split for G-SchNet HOT 2
- Validity and uniqueness of molecules generated by G-schent
- Differences between paper and code HOT 1
- Does the code use Unet? HOT 1
- Explicit valence error in training HOT 1
- Use e3_diffusion for sphere packs generation HOT 1
- Request for Release of Pre-trained Model Checkpoints HOT 1
- Inquiry Regarding the Creation of the qm9_second_half Dataset HOT 1
- Training time for QM9? HOT 2
- Training time for Geom Drug & Incorrect mask generation? HOT 2
- Instructions to turn off equivarinace? HOT 2
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