Bayer-Group / MOCCA

Related projects ⓘ

Alternatives and complementary repositories for MOCCA

• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆23Updated 3 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆16Updated last month
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆16Updated 4 years ago
• RPirie96 / RGMolSA
  ☆33Updated 8 months ago
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆19Updated 2 years ago
• iwatobipen / QSAR_TOOLBOX
  tools for building qsar models
  ☆15Updated 5 years ago
• iwatobipen / chemo_info
  ☆32Updated 3 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆23Updated 6 months ago
• mcsorkun / AqSolPred-web
  Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
  ☆10Updated last week
• jku-vds-lab / cime
  cime public repository
  ☆33Updated last year
• LBLQMM / MACAW
  ☆14Updated 2 years ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 2 weeks ago
• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆17Updated 3 years ago
• ParImmune / SINAPs
  ☆18Updated 3 years ago
• panwarp / PyL3dMD
  PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package
  ☆24Updated 4 months ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆35Updated last year
• lithium0003 / JSME_ipywidget
  JSME Molecule Editor ipywidget for jupyter notebook
  ☆12Updated 2 years ago
• gfm-collab / chemprop-IR
  ☆18Updated 3 years ago
• nadinulrich / log_P_prediction
  ☆11Updated 3 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆53Updated 2 years ago
• iwatobipen / chem_streamlit
  ☆25Updated 3 years ago
• jairesdesousa / guidemol
  GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
  ☆9Updated 9 months ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated 3 months ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆24Updated 6 months ago
• daenuprobst / theia
  ☆18Updated 4 months ago
• iipharma / pharmamind-molminer
  PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…
  ☆20Updated 2 years ago
• pnnl / darkchem
  ☆31Updated last year
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆33Updated last month
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆48Updated 5 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆50Updated 3 weeks ago