mm644706215
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a00c4a384a
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resp orca docker-compose file bak
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2025-01-17 15:29:19 +08:00 |
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mm644706215
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0409e0e203
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remove
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2025-01-17 15:28:43 +08:00 |
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mm644706215
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648a52c931
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only 3dqsar build
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2025-01-17 15:28:15 +08:00 |
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mm644706215
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6382cb20f1
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add software record
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2025-01-17 15:22:48 +08:00 |
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mm644706215
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ee0e0f2ee1
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Multiwfn可以计算的分子描述符一览
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2025-01-17 00:36:33 +08:00 |
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mm644706215
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f8dd8a94c7
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old version (no orca)
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2025-01-17 00:12:41 +08:00 |
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mm644706215
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d444199990
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update to orca
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2025-01-17 00:07:30 +08:00 |
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mm644706215
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989b014997
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add engine
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2025-01-17 00:06:25 +08:00 |
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lingyu zeng
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a323e52ee5
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Initial commit
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2024-09-25 21:57:48 +08:00 |
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