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Python Package using Conda

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macetheory: seed Python Package using Conda #1364: Commit a9feb3b pushed by RagnarB83
3m 14s NEW
NEW
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fixes Python Package using Conda #1363: Commit 26dffad pushed by RagnarB83
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NEW
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active learning: print seed Python Package using Conda #1362: Commit 34e1ba3 pushed by RagnarB83
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NEW
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active learning: seed Python Package using Conda #1361: Commit 1146e66 pushed by RagnarB83
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macetheory: train method device defaults to None, will use init attri… Python Package using Conda #1360: Commit eb8874f pushed by RagnarB83
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NEW
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some ML updates: create_ML_training_data now supporting xyz_files, ac… Python Package using Conda #1359: Commit d698841 pushed by RagnarB83
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NEW
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Added SOAP descriptors and similarity calculation support. Python Package using Conda #1358: Pull request #477 synchronize by madhursharmaa
1m 34s madhursharmaa:NEW
madhursharmaa:NEW
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Added SOAP descriptors and similarity calculation support. Python Package using Conda #1357: Pull request #477 opened by madhursharmaa
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madhursharmaa:NEW
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Merge pull request #465 from RagnarB83/NEW Python Package using Conda #1356: Commit 58d15bb pushed by RagnarB83
3m 20s master
master
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Neo branch Python Package using Conda #1355: Pull request #476 opened by RagnarB83
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NEO-branch
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1354: Pull request #465 synchronize by RagnarB83
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NEW
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NEB knarr: removed debug printing. Problem with free_end now fixed Python Package using Conda #1353: Commit 2fa00b3 pushed by RagnarB83
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1352: Pull request #465 synchronize by RagnarB83
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NEB: knarr bugfix, for free_end, Ereactant should not be fixed Python Package using Conda #1351: Commit 9610af2 pushed by RagnarB83
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NEW
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1350: Pull request #465 synchronize by RagnarB83
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more debug Python Package using Conda #1349: Commit 8f53d4c pushed by RagnarB83
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NEW
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1348: Pull request #465 synchronize by RagnarB83
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NEB: debugging Python Package using Conda #1347: Commit d60ef49 pushed by RagnarB83
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1346: Pull request #465 synchronize by RagnarB83
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fix Python Package using Conda #1345: Commit 79f9f62 pushed by RagnarB83
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NEW
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1344: Pull request #465 synchronize by RagnarB83
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fix Python Package using Conda #1343: Commit 0d822cf pushed by RagnarB83
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1342: Pull request #465 synchronize by RagnarB83
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fix Python Package using Conda #1341: Commit bff0fde pushed by RagnarB83
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DL-FIND, Turbomole, UMA interfaces Python Package using Conda #1340: Pull request #465 synchronize by RagnarB83
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