xavierchee
xavierchee
No problem. The tutorial name is: Generating_molecules_with_MolGAN. Thanks Rbharath!
Nope, not yet
NVIDIA A100 If i use this: #!/bin/bash #SBATCH --job-name=unidock #SBATCH --output=unidock.txt #SBATCH --ntasks=1 #SBATCH --cpus-per-task=1 #SBATCH --ntasks-per-node=1 #SBATCH --time=00:05:00 #SBATCH --mem-per-cpu=20G #SBATCH --gres=gpu:1 #SBATCH --tmp=200G ml gcc/12.2.0 boost/1.81.0 cuda/12.0.0 ml...
Thank you @zhengh96 we will try it out and let u know! Just a comment, - ideally, the software would be able to take a multi-ligand SDF file and then...