3DMolMS

Q-TOF and Orbitrap MS2, retention time and collision cross section checkpoints for 3DMolMS.

Current release: 1.4.0.

Attribution: Hong et al. (2023).

These files are primarily provided for the 3DMolMS Galaxy tool and its data_manager_3dmolms_models data manager. They can also be imported into a history using Galaxy's Upload tool where Hugging Face integration is available.

Sources and documentation

Version	GitHub and documentation	Original source
1.4.0	GitHub and documentation	Original source

Licensing

Version	Model/data license	Software license	Notes
1.4.0	CC-BY-NC-SA-4.0	CC-BY-NC-SA-4.0	Non-commercial use. The listed licence is based on the upstream project licence; separate model/data terms are not stated.

Versions and files

Files are mirrored unchanged from upstream.

Version	Recorded software compatibility	File	SHA-256
1.4.0 (current)	molnetpack >=1.4,<1.5	1.4.0/LICENSE	9e502ba75fd0fd30cea5497b438a4bc12f07f02bc932a7a6041fd6a18b8f46a0
1.4.0 (current)	molnetpack >=1.4,<1.5	1.4.0/molnet_ccs_v1.4.0.zip	41ecb269e1d5c9acd9acb2da96eb27c2ce8d7dd78c3acb780516967f88796f73
1.4.0 (current)	molnetpack >=1.4,<1.5	1.4.0/molnet_orbitrap_v1.4.0.zip	274ed8c4830c4e304ae046275c4174e4a71b7cb78da7dc5e649048c8436cc0f3
1.4.0 (current)	molnetpack >=1.4,<1.5	1.4.0/molnet_qtof_v1.4.0.zip	cae28517eaf92e37f05661ca8e437815356d5b6e7c91bffd708cade9cf46180e
1.4.0 (current)	molnetpack >=1.4,<1.5	1.4.0/molnet_rt_v1.4.0.zip	69021fbcb3c14c233319937b7333f68a20764c80bc757f8c1946e8754e36907c