Your Name
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6807368bf6
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update
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2024-11-06 10:15:05 +08:00 |
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root
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cc9d96a36c
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update
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2024-10-27 15:29:31 +08:00 |
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root
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a977029c82
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add amber
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2024-10-23 21:06:48 +08:00 |
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root
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77bf980868
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add openucx and openmpi
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2024-10-17 13:30:07 +08:00 |
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root
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9e0469c9d3
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add openucx and openmpi
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2024-10-17 13:27:37 +08:00 |
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root
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68f7ecbf2d
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update
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2024-10-17 09:45:10 +08:00 |
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root
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1e9055ebc8
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update
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2024-10-16 23:17:04 +08:00 |
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root
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a331f22baa
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update
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2024-10-16 23:16:49 +08:00 |
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root
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777d8a0067
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add cuda_arch
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2024-10-11 12:31:41 +08:00 |
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root
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a10624305d
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update
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2024-10-11 10:23:09 +08:00 |
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root
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174b38372b
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update add PyAutoFEP
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2024-10-10 23:07:53 +08:00 |
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root
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cd6079d679
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add PyAutoFEP
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2024-10-10 23:07:31 +08:00 |
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root
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f5babc522c
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analyse
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2024-10-05 19:28:24 +08:00 |
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root
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c921cffb25
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add .xvg 文件可视化
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2024-10-05 19:28:06 +08:00 |
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root
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023d72a3f0
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plot svg
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2024-10-05 19:27:47 +08:00 |
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root
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642f35760c
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add plot_rmsd.sh
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2024-10-05 19:08:54 +08:00 |
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root
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465d8a8edf
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add RNA 小分子模拟
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2024-10-05 15:48:18 +08:00 |
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root
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a87531b5b2
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add docker use
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2024-10-05 15:44:23 +08:00 |
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root
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6cfd7db5dc
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update
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2024-10-05 15:36:49 +08:00 |
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root
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57ef07370b
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update
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2024-10-05 15:26:01 +08:00 |
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root
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e33f462d15
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add test script
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2024-10-05 15:10:17 +08:00 |
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root
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3847ccb2ff
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change md run time
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2024-10-05 14:48:49 +08:00 |
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root
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b166b2bf6a
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remove
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2024-10-05 14:42:29 +08:00 |
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root
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06e5a0f94b
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big update
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2024-10-05 14:41:52 +08:00 |
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root
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dbd3e452be
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add plot script
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2024-10-05 14:41:34 +08:00 |
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root
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4913d6fc8d
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add mole
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2024-09-26 19:11:16 +08:00 |
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root
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0d64401916
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add gaussian
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2024-09-26 18:57:39 +08:00 |
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root
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b00b76f9f8
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add mole sobtop
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2024-09-26 18:04:18 +08:00 |
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root
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507b843060
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add RESP script with nogui version
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2024-09-26 18:03:40 +08:00 |
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root
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b6d1adb3f3
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change
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2024-09-26 18:02:56 +08:00 |
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root
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f9c9f82961
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add prepare gro top itp file in gromacs
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2024-09-26 18:02:31 +08:00 |
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root
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bf2b289c67
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add all
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2024-09-26 16:39:11 +08:00 |
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root
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111de00dd5
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Merge branch 'main' of ssh://home.jmsu.top:2224/lingyuzeng/gromacs_docker
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2024-09-26 16:36:49 +08:00 |
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root
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c7c02e9a7f
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remove
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2024-09-26 16:36:29 +08:00 |
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root
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31b940a85f
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remove
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2024-09-26 16:36:12 +08:00 |
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root
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fd4db7f8a7
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add resp compute
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2024-09-26 16:35:38 +08:00 |
|
lingyu zeng
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2b654ce581
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update
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2024-09-25 18:29:48 +08:00 |
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|
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09fea665fc
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update
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2024-09-19 21:15:11 +08:00 |
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212dcb88ec
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update
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2024-09-19 21:13:26 +08:00 |
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8591efd393
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add
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2024-09-19 21:13:12 +08:00 |
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308333d97e
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add protein and ligand
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2024-09-19 21:12:59 +08:00 |
|
lingyu zeng
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363d9b2fe1
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add screen
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2024-09-18 19:32:25 +08:00 |
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lingyu zeng
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f67fb6c270
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add gpu_id
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2024-09-18 19:31:58 +08:00 |
|
lingyu zeng
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82d60391bf
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update
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2024-09-18 15:11:00 +08:00 |
|
lingyu zeng
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ded062a855
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update
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2024-09-18 14:46:44 +08:00 |
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fbc70f84de
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update
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2024-09-12 18:24:11 +08:00 |
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c52df66d52
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add lower update
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2024-09-12 16:13:37 +08:00 |
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ac4a2cb009
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lo
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2024-09-12 14:32:57 +08:00 |
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dddbc32879
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add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support
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2024-09-12 14:30:46 +08:00 |
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a2fc510d2b
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add Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz support
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2024-09-12 14:29:25 +08:00 |
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