Alternatives and similar repositories for ChemPlot:

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

• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆68Updated last month
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆164Updated 3 weeks ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆214Updated last month
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated last week
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆187Updated 2 months ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆166Updated last month
• molecularinformatics / roshambo
  ☆78Updated 8 months ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated last month
• DrugBud-Suite / CADD_Vault
  ☆47Updated last month
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆64Updated 3 weeks ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆118Updated 5 months ago
• PatWalters / TS
  Thompson Sampling
  ☆66Updated last week
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆60Updated 10 months ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆138Updated last year
• coleygroup / sparrow
  ☆49Updated last month
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆123Updated last month
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• durrantlab / dimorphite_dl
  Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, acc…
  ☆30Updated last year
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆76Updated 7 months ago
• molecularinformatics / Computational-ADME
  ☆84Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆76Updated last year
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆82Updated 3 years ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆182Updated 2 weeks ago
• 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…
  ☆178Updated last week
• connorcoley / scscore
  ☆95Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆67Updated this week