Releases: forrestjgq/dockcpp
Releases · forrestjgq/dockcpp
support culbfgsb-cuda-server
Merge pull request #6 from forrestjgq/rel-v0.4 release v0.4
remove dependency of numpy
v0.2 change to v0.2
first release commit to acceptable precision and speed
0322-v1.ckpt 模型,13进程,top1 RMSD < 2.0:
pytorch 自动求导:0.8807,15.8s
python 数值求导 esp = 0.01:0.8772,61.1s
kernel 数值求导 esp = 0.01:0.8737,3.37s
0322-v1.ckpt 模型,13进程,top1 RMSD < 2.0:
pytorch 自动求导:0.8947,20.2s
kernel 数值求导 esp = 0.01:0.9018,3.43s」