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Merge pull request #37 from janash/rdkit-postgres Docs #109: Commit 9b4ae9e pushed by SinaMostafanejad
May 1, 2024 20:59 31s main
main
May 1, 2024 20:59 31s
Merge pull request #38 from janash/docs-styling Docs #108: Commit 2aa9c3c pushed by SinaMostafanejad
May 1, 2024 15:39 30s main
main
May 1, 2024 15:39 30s
corrects the command line for lammps example Docs #107: Commit f5a762e pushed by SinaMostafanejad
August 23, 2023 21:07 37s docs
docs
August 23, 2023 21:07 37s
adds the port flag to psi4+ase+jupyter catalog Docs #106: Commit 826fd38 pushed by SinaMostafanejad
July 21, 2023 02:13 37s docs
docs
July 21, 2023 02:13 37s
Merge pull request #36 from MolSSI/docs Docs #105: Commit ac1f977 pushed by molssihub
July 17, 2023 18:55 37s main
main
July 17, 2023 18:55 37s
adds jupyter port exposure to torchani metadata Docs #104: Commit 55021e5 pushed by SinaMostafanejad
July 17, 2023 18:44 30s docs
docs
July 17, 2023 18:44 30s
Merge pull request #35 from MolSSI/docs Docs #103: Commit c41ac37 pushed by molssihub
July 12, 2023 19:30 32s main
main
July 12, 2023 19:30 32s
a draft of the quick start page Docs #102: Commit 2dcb1c8 pushed by SinaMostafanejad
July 12, 2023 19:26 43s docs
docs
July 12, 2023 19:26 43s
Merge pull request #34 from MolSSI/docs Docs #101: Commit 66541b7 pushed by molssihub
July 12, 2023 01:25 34s main
main
July 12, 2023 01:25 34s
updates metadata for torchani and torchani-jupyter Docs #100: Commit 0343a38 pushed by SinaMostafanejad
July 12, 2023 01:17 38s docs
docs
July 12, 2023 01:17 38s
Merge pull request #33 from MolSSI/docs Docs #99: Commit ef389bb pushed by molssihub
July 11, 2023 23:26 34s main
main
July 11, 2023 23:26 34s
updates torchani-ase-jupyter Dockerfile and metadata Docs #98: Commit f92b35c pushed by SinaMostafanejad
July 11, 2023 23:19 36s docs
docs
July 11, 2023 23:19 36s
Merge pull request #32 from MolSSI/docs Docs #97: Commit f90dc63 pushed by molssihub
June 28, 2023 14:18 29s main
main
June 28, 2023 14:18 29s
updates dockerfiles and metadata for pyscf Docs #96: Commit ecc43a3 pushed by SinaMostafanejad
June 28, 2023 14:15 31s docs
docs
June 28, 2023 14:15 31s
Merge pull request #31 from MolSSI/docs Docs #95: Commit 593e379 pushed by molssihub
June 16, 2023 20:49 35s main
main
June 16, 2023 20:49 35s
adds docs for datamol Docs #94: Commit d6e7b20 pushed by SinaMostafanejad
June 16, 2023 20:46 27s docs
docs
June 16, 2023 20:46 27s
adds Dockerfile and metadata for datamol Docs #93: Commit 4ef2375 pushed by SinaMostafanejad
June 16, 2023 20:43 33s docs
docs
June 16, 2023 20:43 33s
renames psi4 + ase doc files for consistency Docs #92: Commit e66da6c pushed by SinaMostafanejad
June 16, 2023 19:28 28s docs
docs
June 16, 2023 19:28 28s
renaming the psi4 + ase folder for consistency Docs #91: Commit 77c9d98 pushed by SinaMostafanejad
June 16, 2023 19:24 26s docs
docs
June 16, 2023 19:24 26s
corrects env vars in multiple metadata files Docs #90: Commit ed02796 pushed by SinaMostafanejad
June 16, 2023 18:29 33s docs
docs
June 16, 2023 18:29 33s
Merge pull request #30 from MolSSI/docs Docs #89: Commit f6982a5 pushed by molssihub
June 15, 2023 22:54 29s main
main
June 15, 2023 22:54 29s
Dockerfiles and metadata must use native env vars Docs #88: Commit f510fe2 pushed by SinaMostafanejad
June 15, 2023 22:45 33s docs
docs
June 15, 2023 22:45 33s
Merge pull request #29 from MolSSI/docs Docs #87: Commit c6ac768 pushed by molssihub
June 14, 2023 21:38 38s main
main
June 14, 2023 21:38 38s
updates the psi4-ase docs, metadata and Dockerfile Docs #86: Commit 9d9062f pushed by SinaMostafanejad
June 14, 2023 21:34 33s docs
docs
June 14, 2023 21:34 33s
Merge pull request #28 from MolSSI/docs Docs #85: Commit dfba578 pushed by molssihub
June 14, 2023 17:08 27s main
main
June 14, 2023 17:08 27s