amr abdallah

Equivariance test for IPA Transformer

1

@lucidrains I would like to ask about the equivariance of the transformer (not IPA blocks). I wonder if you checked for the equivariance of the output when you allow the...

efficient implementation

2

Hi, I wonder if relative distances and coordinates can be handled more efficiently using memory efficient attention as in " Self-attention Does Not Need O(n^2) Memory". It is straightforward for...

Hello, do u know newer option to do this task ? I am looking for persistent object not only numpy arrays using server client approach. I found that blaze have...

Improvement plans?

1

Hello, First I would like to thank you for this really useful tool. I would like to ask if there are plans to : 1-make gui for the script 2-make...

Multiple alchemical regions

7

Hello, I am trying to make set of moves in which different regions (atom indices) should be perturbed. I am not sure how can this be handled in the current...

version of torchmd-net used for this work

2

Hello, What is the version of torchmd-net used in this work? It seems that loading the model shared in the repo is compatible with older version of torchmd-net.

doesn't work on 2.022.17

1

I am not sure if it can unpack dll with this version....usually it will throw .net data directory rva is 0