equiformer_v2

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How to train on a customied dataset?

1

I have a dataset with molcules and their atoms, positions, energy, and forces information. I wonder how to train my dataset with equiformer_v2. Is it possible to support customied dataset...

xiehuanyi

Upload models to the Hugging Face Hub

4

Hi! Very cool work! It would be nice to have the model checkpoints on the [Hugging Face Hub](http://hf.co/models) rather than a Dropbox link Some of the benefits of sharing your...

osanseviero

Inquiry About rescale_factor in SO3.py

1

Dear Developer, I am writing to inquire about the `rescale_factor = math.sqrt(length / (2 * mmax + 1))` defined in the `SO3_Grid` and `CoefficientMappingModule` classes within `SO3.py`. Could you please...

QuantumLab-ZY

Question about the edge_rot_mat

2

Hi, thanks for your wonderful work and code! I am new to the equivariant learning area, and I am trying to understand each step of your code. I suspect [this...

HeegerGao

Question on eSCN

5

Hello, I have a question about eSCN. I have read the section "A.3 ESCN CONVOLUTION" of your paper, and I wonder is there an implicit condition for the summation running...

liangzhixin-202169

Removes unnecessary line of code

chaitjo

Question about Output Head

1

I read the paper, but I'm not quite sure what 'Output Head' means. For example, if I have a 3D molecular graph of my protein pocket, with each node embedded...

feyhong1112