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Get symmetry-corrected LRMSD for small molecules
CI #100: Pull request #25 synchronize by clami66
May 17, 2024 08:23 2s ligand
May 17, 2024 08:23 2s
move constants out of main script
CI #99: Commit 6fbb341 pushed by clami66
May 17, 2024 08:23 1m 29s ligand
May 17, 2024 08:23 1m 29s
Get symmetry-corrected LRMSD for small molecules
CI #98: Pull request #25 synchronize by clami66
May 17, 2024 08:08 2s ligand
May 17, 2024 08:08 2s
header change in README
CI #97: Commit f612ea0 pushed by clami66
May 17, 2024 08:08 1m 44s ligand
May 17, 2024 08:08 1m 44s
Get symmetry-corrected LRMSD for small molecules
CI #96: Pull request #25 synchronize by clami66
May 17, 2024 08:01 3s ligand
May 17, 2024 08:01 3s
version change
CI #95: Commit d175c93 pushed by clami66
May 17, 2024 08:01 1m 31s ligand
May 17, 2024 08:01 1m 31s
Get symmetry-corrected LRMSD for small molecules
CI #94: Pull request #25 synchronize by clami66
May 16, 2024 12:32 2s ligand
May 16, 2024 12:32 2s
ignore new headers in test
CI #93: Commit 5d09aac pushed by clami66
May 16, 2024 12:32 1m 28s ligand
May 16, 2024 12:32 1m 28s
Get symmetry-corrected LRMSD for small molecules
CI #92: Pull request #25 synchronize by clami66
May 16, 2024 12:10 2s ligand
May 16, 2024 12:10 2s
skip coverage test for now
CI #91: Commit 4f15d27 pushed by clami66
May 16, 2024 12:10 1m 29s ligand
May 16, 2024 12:10 1m 29s
Get symmetry-corrected LRMSD for small molecules
CI #90: Pull request #25 synchronize by clami66
May 16, 2024 12:03 3s ligand
May 16, 2024 12:03 3s
fix readme example
CI #89: Commit 44b2f74 pushed by clami66
May 16, 2024 12:03 1m 43s ligand
May 16, 2024 12:03 1m 43s
Get symmetry-corrected LRMSD for small molecules
CI #88: Pull request #25 synchronize by clami66
May 16, 2024 12:00 3s ligand
May 16, 2024 12:00 3s
small molecule test
CI #87: Commit 9707f8f pushed by clami66
May 16, 2024 12:00 1m 37s ligand
May 16, 2024 12:00 1m 37s
Get symmetry-corrected LRMSD for small molecules
CI #86: Pull request #25 synchronize by clami66
May 16, 2024 10:53 2s ligand
May 16, 2024 10:53 2s
better printing
CI #85: Commit 4fa7285 pushed by clami66
May 16, 2024 10:53 1m 31s ligand
May 16, 2024 10:53 1m 31s
Get symmetry-corrected LRMSD for small molecules
CI #84: Pull request #25 synchronize by clami66
May 16, 2024 09:34 3s ligand
May 16, 2024 09:34 3s
bugfix single atom molecule graphs
CI #83: Commit 2f3e844 pushed by clami66
May 16, 2024 09:34 1m 30s ligand
May 16, 2024 09:34 1m 30s
Get symmetry-corrected LRMSD for small molecules
CI #82: Pull request #25 synchronize by clami66
May 16, 2024 09:24 2s ligand
May 16, 2024 09:24 2s
variable bond length based on element types
CI #81: Commit ebd0451 pushed by clami66
May 16, 2024 09:24 1m 28s ligand
May 16, 2024 09:24 1m 28s
Get symmetry-corrected LRMSD for small molecules
CI #80: Pull request #25 synchronize by clami66
May 15, 2024 16:29 2s ligand
May 15, 2024 16:29 2s
lazy loading
CI #79: Commit a465233 pushed by clami66
May 15, 2024 16:29 1m 27s ligand
May 15, 2024 16:29 1m 27s
Get symmetry-corrected LRMSD for small molecules
CI #78: Pull request #25 synchronize by clami66
May 15, 2024 16:00 3s ligand
May 15, 2024 16:00 3s
bugfix
CI #77: Commit 75e4a19 pushed by clami66
May 15, 2024 16:00 1m 34s ligand
May 15, 2024 16:00 1m 34s
Get symmetry-corrected LRMSD for small molecules
CI #76: Pull request #25 synchronize by clami66
May 15, 2024 15:49 2s ligand
May 15, 2024 15:49 2s