htalibart

Hi, thank you for making your code public! when running the command provided in the "Sampling" section of the README ``` python scripts/sample.py --model transvae --model_ckpt checkpoints/trans4x-256_zinc.ckpt --mols data/zinc_train.txt --sample_mode...

Hello, When running the [simple example provided in your wiki](https://github.com/soedinglab/ccmgen/wiki/Compute-and-Visualize-Contact-Maps), CCMpred failed with the following error in ccmpred/algorithm/lbfgs.py, line 91, in minimize: `AttributeError: 'str' object has no attribute 'decode'` It...

rectified matrianglify function

1

Dear all, I noticed that the "matrianglify" function did not yield the correct output for the BLOSUM62 matrix given in the same file. It was a problem of indexes, so...

Hello, Since pseudo-likelihood is optimized on the MSA and not on the frequencies, pseudo-counts are not actually used (except for v* centering). Do you plan on working on this in...

install error with poetry

2

Hello, As indicated in the README, I did: ``` conda env create -f env-dev.yml conda activate chemformer poetry install ``` but got the following error: ``` RuntimeError The Poetry configuration...