Eric Taw
Eric Taw
``` // Dimensionality set at run-time (default: L2) typedef KDTreeEigenMatrixAdaptor my_kd_tree_t; // Dimensionality set at compile-time // typedef KDTreeEigenMatrixAdaptor< Eigen::Matrix > // my_kd_tree_t; ``` For the one set at compile-time,...
# 🐛 Bug (not sure if this counts as a bug or something that needs documentation yet...) Attempting to train an exact Gaussian process with missing `y` results in `nan`...
Lately I've been playing with using graph convolutions as part of a deep kernel using `torch-geometric`. I'm using an ExactGP very similar to the one used in the examples with...
When using `random_forest_error()` with a dataset in which the features range between 0 and 1 and of datatype `float64`, I get a bunch of overflow errors like so: ``` /Users/erictaw/forest-confidence-interval/forestci/calibration.py:86:...
Like the title says, and addresses #16. I've also taken the liberty of starting to make some tests with `pytest`, and I moved the old `test` folder to `manual_tests` to...
@CorySimon @SimonEnsemble what do you think about letting users create a `ModelIsotherm` directly from parameters instead of fitting them? This is useful when the raw isotherm data isn't presented in...
I get the following error with this code after generating the vocabulary: ``` from fast_jtnn import * vocab = Vocab('data/moses/vocab.txt') ``` ``` [16:21:52] SMILES Parse Error: syntax error for input:...
Simple fix here -- just need to add Scipy to the requirements. :)
Hi, Is there any interest in implementing a UF3 model with only some 3-body terms? I have a (rather hacky) way of training this potential by directly modifying `ChemicalSystem.interaction_map[3]`, and...
Hi Mario, Thanks for the implementation! I wanted to ask about the inference performance of allegro-jax, as it seems to be quite different from what I'm seeing in the official...