All public logs

Combined display of all available logs of DISI. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 05:26, 9 August 2022 Khtang talk contribs moved page TLDR:Arthorbatch to TLDR:arthorbatch without leaving a redirect
• 06:15, 8 August 2022 Khtang talk contribs created page TLDR:Swbatch (Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD")
• 06:12, 8 August 2022 Khtang talk contribs created page TLDR:Newbuild3d (Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol...")
• 05:37, 8 August 2022 Khtang talk contribs created page TLDR:Extrema (Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha...")
• 05:32, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap2 (Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
• 05:30, 8 August 2022 Khtang talk contribs created page TLDR:Bootstrap1 (Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD")
• 05:20, 8 August 2022 Khtang talk contribs created page TLDR:Strain (Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole...")
• 04:55, 8 August 2022 Khtang talk contribs created page TLDR:DUDE-Z (Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm...")
• 04:45, 8 August 2022 Khtang talk contribs created page TLDR:Bioisostere (Created page with "== Purpose == To find analogs of your active compounds that you can use to explore SAR by catalogs around your hits. == Inputs == * a starting molecule in txt file (one at a...")
• 19:56, 7 August 2022 Frodo talk contribs created page User talk:HusseinAli (Welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User:HusseinAli (Creating user page for new user.)
• 19:56, 7 August 2022 User account HusseinAli talk contribs was created by Frodo talk contribs and password was sent by email (Welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User talk:Cangfeng (Welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User:Cangfeng (Creating user page for new user.)
• 19:56, 7 August 2022 User account Cangfeng talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User talk:E.zeqiraj (Welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User:E.zeqiraj (Creating user page for new user.)
• 19:56, 7 August 2022 User account E.zeqiraj talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User talk:S1giard (Welcome!)
• 19:56, 7 August 2022 Frodo talk contribs created page User:S1giard (Creating user page for new user.)
• 19:56, 7 August 2022 User account S1giard talk contribs was created by Frodo talk contribs and password was sent by email (welcome!)
• 19:50, 7 August 2022 Frodo talk contribs created page ZINC22:Directory structure (asdf)
• 19:35, 7 August 2022 Frodo talk contribs moved page UCSF License to UCSF ZINC License (fix the name)
• 19:20, 7 August 2022 Frodo talk contribs created page UCSF License (asfd)
• 20:20, 5 August 2022 Jocastanon talk contribs created page Cartblanche22 Build Instructions (Created page with "== Local environment == * Clone repo Git clone https://gitlab.docking.org/chinzo/molecule-shopping-cart Cd molecule-shopping-cart * Create conda environment with python 3...")
• 17:53, 5 August 2022 Khtang talk contribs created page User talk:Jocastanon (Welcome!)
• 17:53, 5 August 2022 Khtang talk contribs created page User:Jocastanon (Creating user page for new user.)
• 17:53, 5 August 2022 User account Jocastanon talk contribs was created by Khtang talk contribs and password was sent by email
• 21:54, 4 August 2022 Khtang talk contribs created page Dimorphite-DL (Created page with "'''Dimorphite-DL is an open-source software for enumerating ionization states of molecules created by [https://durrantlab.pitt.edu/ Durrant Lab] at University of Pittsburgh.''...")
• 20:48, 3 August 2022 Btingle talk contribs created page Using AWS Setup For Cloud Computation (Created page with "= Introduction to the AWS Setup platform = The concept of "the cloud" as a platform for computation is somewhat mystified. Scientists talk about running their calculations "i...")
• 20:44, 3 August 2022 Iamkaant talk contribs created page Synthesia (Created page with "<blockquote>Synthesia is a command-line tool that uses an entire retrosynthetic route as a guide pathway to generate optimized structural analogues of a lead compound without...")
• 20:09, 28 July 2022 Frodo talk contribs created page Category:TLDR (asdf)
• 18:55, 28 July 2022 Frodo talk contribs created page TLDR:Arthorbatch (asdf)
• 07:52, 28 July 2022 Ianscottknight talk contribs created page Ucsfdock (Created page with "`ucsfdock` is a Python package wrapping the DOCK program that provides tools to help standardize and automate the computational methods surrounding molecular docking....")
• 06:06, 27 July 2022 Btingle talk contribs created page AWS DOCK Environment Setup Advanced Usage (Created page with "= Advanced Usage/Configuration Usage = If you followed the tutorial above, you may have noticed that the create-aws-batch-env.bash script was provided a file, awsdock.config,...")
• 16:57, 26 July 2022 Btingle talk contribs created page File:Spotlimits.png
• 16:57, 26 July 2022 Btingle talk contribs uploaded File:Spotlimits.png
• 22:52, 25 July 2022 Khtang talk contribs created page File:Target vs target.png
• 22:52, 25 July 2022 Khtang talk contribs uploaded File:Target vs target.png
• 22:51, 25 July 2022 Khtang talk contribs created page File:Compound vs target.png
• 22:51, 25 July 2022 Khtang talk contribs uploaded File:Compound vs target.png
• 22:51, 25 July 2022 Khtang talk contribs created page File:Compound vs library.png
• 22:51, 25 July 2022 Khtang talk contribs uploaded File:Compound vs library.png
• 22:14, 25 July 2022 Ianscottknight talk contribs created page Dockmaster (Created page with "Dockmaster enables the efficient search for the optimal DOCK parameters of a given target receptor as evaluated by the amount of enrichment witnessed in retrospective docking....")
• 22:04, 25 July 2022 Ianscottknight talk contribs created page INDOCK (Created page with "The INDOCK file is the main parameters file of the DOCK program. It is a text file where each line specifies a parameter or the path to another parameter file. = Ver...")
• 16:59, 25 July 2022 Btingle talk contribs created page DOCK memory and CPU benchmark (Created page with "Excerpt from email between Ben Tingle and Jiankun Lyu: <nowiki> JK- I have some more info on how threads/cpus work. It seems that utilizing threads does give more power, but...")
• 03:30, 22 June 2022 Btingle talk contribs created page Category:AWS DOCK (Created page with "Protocols for running DOCK software on AWS. Specifically DOCK 3.8 (and others in the DOCK3 family) Despite these protocols being tailored for the DOCK3 family of software, th...")
• 00:15, 22 June 2022 Btingle talk contribs created page File:S3pricing.png
• 00:15, 22 June 2022 Btingle talk contribs uploaded File:S3pricing.png
• 23:53, 21 June 2022 Btingle talk contribs created page Docking Submission On AWS (Created page with "=== Prerequisites === * You've followed the tutorial for setting up the environment: AWS DOCK Environment Setup * Following from the previous requirement, you have the a...")