François Bérenger

Apparently, w/ nowadays version of deepchem (I just installed 2.7.1 via pip), we need 'from deepchem.models.graph_models import WeaveModel'. I guess that there are many places that would need such updating....

Can we ask one bead per heavy atom? [question]

2

Also, is the obtained "CG molecule" still flexible if the input molecule was?

you are using python3 right?

trying using the conda method

3

``` python -m chemvae.train_vae /usr/local/anaconda3/envs/chemvae/lib/python3.6/site-packages/tensorflow/python/framework/dtypes.py:523: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type,...

negative values in grampa.csv file

10

Some concentration values are negative. I don't think this is possible, so there is a problem somewhere that introduced those negative values.

real men don't busy wait

1

try to find a better way for DSs to acquire a lock

mget

4

get working even with a directory