Global-Chem/global-chem

Issues

• SS-154: Add a Discord Channel Description into our Gitbook

  #259 opened 5 months ago
  0

• SS-153: Add the Discord Roles to the Gitbook Documentation

  #258 opened 5 months ago
  0

• SS-152: Outstream object has no configure. There is an additional configuration for the output need to be formatted to be used for Jupyter Notebooks.

  #256 opened 10 months ago
  0

• SS-151: Common Performing Enhancing Drugs for Mixed Martial Arts

  #254 opened 5 months ago
  3

• SS-150: Chemical Compositon of a Mango

  #253 opened a year ago
  5

• Create Graph Node: FirstInClassMedications

  #252 opened 5 months ago
  0

• Create Graph Node: OrganicDSSCDyes

  #251 opened 2 years ago
  0

• Create Graph Node: OrganicDSSCDyes

  #250 opened 2 years ago
  0

• Create Graph Node: organicdsscdyes

  #249 opened 2 years ago
  0

• SS-149: First in Class Medications Necessary for Emerging Medicines for Cancer Therapies

  #248 opened 2 years ago
  0

• SS-148: Harvard Clean Energy Project - Solar Cells SMILES

  #247 opened 2 years ago
  0

• SS-147: Dark Chemicals

  #246 opened 2 years ago
  0

• SS-146: JWH Compounds

  #245 opened 2 years ago
  0

• SS-145: Chemical List of FDA Approved Drugs of 2023

  #244 opened 2 years ago
  0

• SS-144: Welcome Channel on The Discord.

  #243 opened 2 years ago
  1

• SS-143: Convert Chemical Graph into Other Ontolgies: RDF/XML, OBO, OWL For interoperability.

  #242 opened 2 years ago
  0

• SS-142: Chemical Diversity of Whiskey

  #241 opened 2 years ago
  0

• PC-1: Solar Cell Dyes

  #240 opened 2 years ago
  3

• JC-1: Add BRAF Dimer Inhibitors

  #239 opened 5 months ago
  0

• SS-141: What is Popular in the Black Market?

  #236 opened 5 months ago
  0

• SS-141: Remove All SMARTS

  #234 opened 5 months ago
  0

• SS-140: Academic Codes for User Academic Verification if Chosen.

  #233 opened 5 months ago
  0

• SS-139: Data Governance over Cannabis Sativa And Asteroid Ryugu

  #232 opened 5 months ago
  0

• SS-138: Porting Global-Chem into Github Action Bot

  #230 opened 5 months ago
  0

• SG-1: Dashboard for Principal Component Analysis

  #228 opened 5 months ago
  3

• Man Hours Badge Deactivation

  #224 opened 5 months ago
  0

• SS-137: Sunbursting SMILES for Chemical Diversity is slow

  #222 opened 5 months ago
  0

• SS-136: GlobalChem Virtual Meetup

  #221 opened 5 months ago
  3

• SS-135: Cat Genetics

  #219 opened 5 months ago
  0

• Public Notification System: Colour Additive List Changes

  #217 opened 2 years ago
  1

• Colour Additive List Changes

  #216 opened 2 years ago
  1

• SS-134: Any Google Colab Probems? Any permission issues

  #207 opened 5 months ago
  0

• SS-133: Stage the 1.8.0.0 version for release.

  #203 opened 5 months ago
  0

• SS-132: [GlobalChemExtensions] Write tests for Development Operations for making sure the heartbeat monitors work.

  #194 opened 2 years ago
  2

• SS-130: [GlobalChemExtensions] Write tests for visualizing the orbital files. Maybe there is a save image function we can use for testing.

  #193 opened 2 years ago
  2

• SS-129: [GlobalChemExtensions] Test the extraction of frequency values from an output file provided in the example data.

  #192 opened 2 years ago
  2

• SS-128: [GlobalChemExtensions] Test moly across different cubeprop files.

  #191 opened 2 years ago
  2

• SS-127: [GlobalChemExtensions] The generation of HOMO/LUMO cube psi4 files needs to be tested because moly can't render them.

  #190 opened 2 years ago
  2

• SS-126: [GlobalChemExtensions] Psi4 parsing needs testing in extracting energy values of interest.

  #189 opened 2 years ago
  2

• SS-125: [GlobalChemExtensions] The Z-Matrices in the Z-Matrix store need to be retested and defined in accordance to our own internal standard

  #188 opened 2 years ago
  2

• SS-124: [GlobalChemExtensions] The Scaffold graph adapter needs a pytest.

  #187 opened 2 years ago
  2

• SS-123: [GlobalChemExtensions] Peptides and unusual Peptides need to be tested for robustness of the algorithm in generating stable SMILES strings.

  #186 opened 2 years ago
  2

• SS-122: [GlobalChemExtensions] A test needs to be written to the conversion of a Global-Chem knowledge graph to Networkx

  #185 opened 2 years ago
  2

• SS-121: [GlobalChemExtensions] The principal component analysis just needs verification that it works.

  #184 opened 2 years ago
  2

• SS-120: [GlobalChemExtensions] Smarts Visualizer needs a test that the API works.

  #183 opened 2 years ago
  2

• SS-119: [GlobalChemExtensions] Sunburst also needs to be tested with the CGenFF Force Field Atom Types when done in development

  #182 opened 5 months ago
  1

• SS-118: [GlobalChemExtensions] The sunbursting method needs to be tested for accuracy representation of functional groups and pairs. Some times there is redundancy.

  #181 opened 5 months ago
  1

• SS-117: [GlobalChemExtensions] Dimorphite-dl needs testing on different pH Environments to see the validity of the platform. Does this feature need additional filters on our end.

  #180 opened 5 months ago
  1

• SS-116: [GlobalChemExtensions] The SMARTS app visualizer will need testing. Compounds from the MiniFragDB can be expanded into GlobalChem Nodes.

  #179 opened 5 months ago
  1

• SS-115: The Deep Layer Scatter plot works for one configuration and needs to be really malleable. There is some bugs in the algorithm and they need to be found out.

  #178 opened 5 months ago
  1