Revvity / ChemDraw-AddIns

Related projects ⓘ

Alternatives and complementary repositories for ChemDraw-AddIns

• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆116Updated 4 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆118Updated this week
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆84Updated last month
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last month
• Aropha / get-chemical-smiles-by-cas-or-name
  Get chemical SMILES strings (structures) based on the CAS numbers or the names of the chemicals.
  ☆28Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆96Updated 2 weeks ago
• simonmb / fragmentation_algorithm
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆19Updated last month
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated last year
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆134Updated 2 months ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆76Updated 2 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆102Updated 6 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆161Updated 4 years ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆121Updated 3 weeks ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆66Updated last year
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆57Updated 3 years ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆85Updated this week
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆45Updated 6 years ago
• jalemkul / gridmat-md
  GridMAT-MD membrane analysis program
  ☆23Updated 6 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆13Updated last week
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆109Updated 5 years ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆137Updated 3 months ago
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆95Updated last week
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆62Updated 3 months ago
• delemottelab / InfleCS-free-energy-clustering-tutorial
  Python tutorial for estimating and clustering free energy landscapes with InfleCS.
  ☆26Updated 2 years ago
• NREL / m2p
  ☆28Updated 3 months ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆149Updated 3 months ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆74Updated last year
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆60Updated last year
• yanfeiguan / QM_descriptors_calculation
  ☆14Updated 3 years ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆98Updated last month