Alternatives and similar repositories for ChemPlot:

Users that are interested in ChemPlot are comparing it to the libraries listed below

• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆155Updated last week
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆63Updated this week
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆212Updated last year
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆163Updated this week
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆136Updated last year
• DrugBud-Suite / CADD_Vault
  ☆43Updated this week
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆129Updated this week
• molecularinformatics / roshambo
  ☆74Updated 6 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆122Updated this week
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆164Updated last week
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆184Updated last month
• PatWalters / TS
  Thompson Sampling
  ☆65Updated 2 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆115Updated 4 months ago
• molecularinformatics / Computational-ADME
  ☆82Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated last week
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆51Updated last week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆146Updated 2 months ago
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆177Updated this week
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆75Updated last year
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆170Updated last week
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆101Updated 7 months ago
• connorcoley / scscore
  ☆95Updated 4 years ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆64Updated this week
• rinikerlab / lightweight-registration
  ☆69Updated this week
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆75Updated last year
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆75Updated 6 months ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆81Updated 3 years ago