mm644706215
|
08167bdd34
|
unfinish
|
2025-01-18 22:42:19 +08:00 |
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mm644706215
|
f66132fcd0
|
fist add
|
2025-01-18 22:42:10 +08:00 |
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mm644706215
|
76f42c119f
|
fix
|
2025-01-18 22:34:03 +08:00 |
|
mm644706215
|
e86a858ede
|
openssh-client openssh-server add
|
2025-01-18 22:33:58 +08:00 |
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mm644706215
|
085ebcb84f
|
temp save
|
2025-01-18 21:42:09 +08:00 |
|
mm644706215
|
8d7d1e766d
|
unfinish
|
2025-01-18 21:41:53 +08:00 |
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mm644706215
|
77e15d17e5
|
add step build file
|
2025-01-18 21:39:38 +08:00 |
|
mm644706215
|
4766780404
|
update add test dockerfile
|
2025-01-18 17:49:21 +08:00 |
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mm644706215
|
582a5043e2
|
update build
|
2025-01-18 17:30:42 +08:00 |
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Your Name
|
6807368bf6
|
update
|
2024-11-06 10:15:05 +08:00 |
|
root
|
cc9d96a36c
|
update
|
2024-10-27 15:29:31 +08:00 |
|
root
|
a977029c82
|
add amber
|
2024-10-23 21:06:48 +08:00 |
|
root
|
77bf980868
|
add openucx and openmpi
|
2024-10-17 13:30:07 +08:00 |
|
root
|
9e0469c9d3
|
add openucx and openmpi
|
2024-10-17 13:27:37 +08:00 |
|
root
|
68f7ecbf2d
|
update
|
2024-10-17 09:45:10 +08:00 |
|
root
|
1e9055ebc8
|
update
|
2024-10-16 23:17:04 +08:00 |
|
root
|
a331f22baa
|
update
|
2024-10-16 23:16:49 +08:00 |
|
root
|
777d8a0067
|
add cuda_arch
|
2024-10-11 12:31:41 +08:00 |
|
root
|
a10624305d
|
update
|
2024-10-11 10:23:09 +08:00 |
|
root
|
174b38372b
|
update add PyAutoFEP
|
2024-10-10 23:07:53 +08:00 |
|
root
|
cd6079d679
|
add PyAutoFEP
|
2024-10-10 23:07:31 +08:00 |
|
root
|
f5babc522c
|
analyse
|
2024-10-05 19:28:24 +08:00 |
|
root
|
c921cffb25
|
add .xvg 文件可视化
|
2024-10-05 19:28:06 +08:00 |
|
root
|
023d72a3f0
|
plot svg
|
2024-10-05 19:27:47 +08:00 |
|
root
|
642f35760c
|
add plot_rmsd.sh
|
2024-10-05 19:08:54 +08:00 |
|
root
|
465d8a8edf
|
add RNA 小分子模拟
|
2024-10-05 15:48:18 +08:00 |
|
root
|
a87531b5b2
|
add docker use
|
2024-10-05 15:44:23 +08:00 |
|
root
|
6cfd7db5dc
|
update
|
2024-10-05 15:36:49 +08:00 |
|
root
|
57ef07370b
|
update
|
2024-10-05 15:26:01 +08:00 |
|
root
|
e33f462d15
|
add test script
|
2024-10-05 15:10:17 +08:00 |
|
root
|
3847ccb2ff
|
change md run time
|
2024-10-05 14:48:49 +08:00 |
|
root
|
b166b2bf6a
|
remove
|
2024-10-05 14:42:29 +08:00 |
|
root
|
06e5a0f94b
|
big update
|
2024-10-05 14:41:52 +08:00 |
|
root
|
dbd3e452be
|
add plot script
|
2024-10-05 14:41:34 +08:00 |
|
root
|
4913d6fc8d
|
add mole
|
2024-09-26 19:11:16 +08:00 |
|
root
|
0d64401916
|
add gaussian
|
2024-09-26 18:57:39 +08:00 |
|
root
|
b00b76f9f8
|
add mole sobtop
|
2024-09-26 18:04:18 +08:00 |
|
root
|
507b843060
|
add RESP script with nogui version
|
2024-09-26 18:03:40 +08:00 |
|
root
|
b6d1adb3f3
|
change
|
2024-09-26 18:02:56 +08:00 |
|
root
|
f9c9f82961
|
add prepare gro top itp file in gromacs
|
2024-09-26 18:02:31 +08:00 |
|
root
|
bf2b289c67
|
add all
|
2024-09-26 16:39:11 +08:00 |
|
root
|
111de00dd5
|
Merge branch 'main' of ssh://home.jmsu.top:2224/lingyuzeng/gromacs_docker
|
2024-09-26 16:36:49 +08:00 |
|
root
|
c7c02e9a7f
|
remove
|
2024-09-26 16:36:29 +08:00 |
|
root
|
31b940a85f
|
remove
|
2024-09-26 16:36:12 +08:00 |
|
root
|
fd4db7f8a7
|
add resp compute
|
2024-09-26 16:35:38 +08:00 |
|
lingyu zeng
|
2b654ce581
|
update
|
2024-09-25 18:29:48 +08:00 |
|
|
|
09fea665fc
|
update
|
2024-09-19 21:15:11 +08:00 |
|
|
|
212dcb88ec
|
update
|
2024-09-19 21:13:26 +08:00 |
|
|
|
8591efd393
|
add
|
2024-09-19 21:13:12 +08:00 |
|
|
|
308333d97e
|
add protein and ligand
|
2024-09-19 21:12:59 +08:00 |
|
