Yunchao "Lance" Liu
Yunchao "Lance" Liu
Hi, I'm running mutiprocessing of many tasks. I wish to upload the offline session automatically after the script is done. But I cannot find a way to output the task_id...
Hello, I'm trying to run my experiment remotely. On a local interactive environment, I'd run my codes with the command: `python clearml_test.py template.cfg`. The command line argument I pass in...
Hello, When I remotely executing my codes, I got this error:  Yes, the downloaded file is .gz and it should look for .csv file. The codes should manually gunzip...
Hello, I'm in a distributed CentOS workstation environment, where manay people share the root directory. I don't think the system admin will be happy if I try to deploy my...
Hello, I'm a new user of pymatgen. When I try to calculate the radius of He and Ne, I got None. I guess this is designed so on purpose. Can...
Dear professor, This is just a reference for me in the future and also for people who encounter the same problem as I did. It seems like the codes won't...
Hi, I don't quite understand the following code excerpt from get_bin_feature(r, max_natoms) in ioutils_direct.py. From importing mol_graph.py, the bond_fdim = 6, so f[1:1+bond_fdim] is f[1:7], which will be overwritten by...
Hello, The MoleculeNet documents state that SIDER dataset contains 1427 drugs. But the original SIDER [paper](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702794/) said it had 1430 drugs. I cannot find the description for this discrepancy. Can...