cdvae

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How can I solve the cuda capability problem?

3

When I command 'python cdvae/run.py data=perov expname=perov',I meet the problem that CUDA capabilities probelm.The concrete hint is as follow: ``` packages/torch/cuda/__init__.py:104: UserWarning: NVIDIA GeForce RTX 4090 with CUDA capability sm_89...

feiji110

Has anyone else managed to reproduce the paper results?

4

sgbaird

InstantiationException: a leaf Variable that requires grad is being used in an in-place operation

19

Followed the [faster conda installation instructions](https://github.com/txie-93/cdvae#faster-conda-installation) from the README on WSL2 (files and environment localized to the WSL2 storage) and got the same error as in https://github.com/txie-93/cdvae/issues/2#issuecomment-1153064071. ```python Exception has...

sgbaird

visualization problem

2

I would like to inquire how I can obtain the visualization results in the published paper.

HaominYu0

What is the version/commit that was used to produce the paper results?

1

For help in troubleshooting getting it up and running.

sgbaird

Instructions for use of the benchmark datasets and metrics on custom generative models

8

Hi @txie-93, I'm enjoying digging into the manuscript, and congratulations on its acceptance to ICLR! It is really nice to see the comparison with FTCP and other methods, and CDVAE...

sgbaird

Consider using ElMD for the composition-based distance

1

For a "more chemically intuitive" distance metric. Original implementation: [ElMD](https://github.com/lrcfmd/ElMD) and [ElM2D](https://github.com/lrcfmd/ElM2D). Lightning-fast version of ElM2D at https://github.com/sparks-baird/chem_wasserstein. $10k \times 10k$ pairwise distances on order of ~10 seconds on CPU....

sgbaird

Unable to create new environment from env.cpu.yml file

1

This is what outputs in Anaconda Prompt: `(base) C:\Users\colto\Desktop>conda env create -f env.cpu.yml Collecting package metadata (repodata.json): done Solving environment: / Found conflicts! Looking for incompatible packages. UnsatisfiableError: The following...

cseeg

> We normalize the lengths of lattice vectors with [N^(1/3)] Does this mean: $a_{scaled} = \frac{a}{N^{1/3}}$ ?

sgbaird

matminer>=0.7.3 instead of =0.7.3

10

https://github.com/txie-93/cdvae/issues/2

sgbaird