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Hi Prince,
Really like the book so far! It's very much straight to the point and clear most of the time with good explanations.
Now to my question, I'm sure I'm misunderstanding something here, bu…
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Hi, thank you for sharing the code.
The bug occurs when I edit the config file to use the VN_Regressor to predict the pose. So I wonder if the program supports the VN_Regressor.
Here's where the b…
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Hi ! Dear authors, your derivation in this paper is very rigorous and amazing! Including RFdiffusion, there are two SE(3) equivariant models for protein structure generation based on diffusion model. …
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- compatible with our current graph model setup / wrappers
- preferably built in to our current molecule graph model
- equivariance tests
- benchmark on density tasks
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Hello,
I've been examining the implementation of the Log Likelihood Ratio (LLR) calculation in the MLMforVEPModel, and I noticed that the LLR is computed separately for both forward (`fwd`) and r…
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I was reviewing a game RoyalZeroSlow lost:
Game: https://online-go.com/game/11665509
SGF: https://online-go.com/api/v1/games/11665509/sgf
Full log: http://termbin.com/1ozj
The interesting thin…
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Dear Prof. Prince,
On the 24_12_2023 version, page 227 Section 12.3.1 Positional encoding you mention "More precisely, it is *equivariant* with respsect to input permutations". I was a bit confused a…
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Hi, following up from the previous issue in https://github.com/openmm/openmm-torch/issues/130.
Increasing the number of neighbours worked and I can now run simulations with my trained models. Howev…
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Hi, nice work and thanks for sharing the code. I notice that the training process of EDM is computing the L2 loss of the sampled $\epsilon$ (subtract center of gravity) and predicted one, i.e., $\hat{…
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### Feature/behavior summary
Refactor `Embeddings` data structure, and their use by `OutputBlock`s to allow the use of intermediate embeddings for modeling. In some models such as MACE, the output of…