Alternatives and similar repositories for periodic-table:

Users that are interested in periodic-table are comparing it to the libraries listed below

• ASKCOS / askcos-core
  Python package for the ASKCOS platform for prediction of chemical reactivity
  ☆17Updated 3 years ago
• OpenChemistry / molecules
  Common molecule fragments for visualization in Avogadro
  ☆17Updated 3 months ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆36Updated 3 years ago
• lukasturcani / moldoc
  Make better chemistry documentation!
  ☆14Updated 5 months ago
• kzfm / pygamess
  GAMESS wrapper for Python
  ☆44Updated last year
• NFDI4Chem / nmrxiv
  nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accel…
  ☆16Updated last month
• conda-forge / ambertools-feedstock
  A conda-smithy repository for ambertools.
  ☆11Updated 2 months ago
• michellab / RBFENN
  ☆11Updated 2 years ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆23Updated 2 weeks ago
• MDAnalysis / MDAnalysisData
  Access to data for workshops and extended tests of MDAnalysis.
  ☆17Updated 7 months ago
• rangsimanketkaew / compchem
  Computational Chemistry
  ☆22Updated 6 months ago
• livecomsjournal / article_templates
  Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)
  ☆9Updated 2 years ago
• Becksteinlab / hop
  Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.
  ☆14Updated 6 years ago
• lukasturcani / stk-vis
  A cross-platform application for visualization of molecular databases.
  ☆33Updated 2 years ago
• denoptim-project / DENOPTIM
  DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
  ☆37Updated 2 weeks ago
• rxn4chemistry / OpenNMT-py
  RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch
  ☆26Updated last year
• ORNL / TwoFold_DL
  Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES
  ☆12Updated last year
• cgrambow / ard_gsm
  Automated reaction discovery and dataset generation with the growing string method
  ☆20Updated 5 years ago
• coleygroup / QM-augmented_GNN
  ☆19Updated 2 years ago
• andersx / auto-ts
  Template-directed automatic generation of transition state structures.
  ☆10Updated 8 years ago
• MDAnalysis / GridDataFormats
  GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
  ☆29Updated 5 months ago
• alexamist / make_resp
  Scripts for calculating RESP charges with Gaussian, starting only with .xyz file of your compound. Generate .mol2, .frcmod and .pdb with …
  ☆8Updated 6 years ago
• 3dmol / jupyterlab_3Dmol
  JupyterLab extension for py3Dmol
  ☆20Updated 3 years ago
• lamm-mit / ProteinMechanicsDiffusionDesign
  ☆28Updated last year
• lucagl / MOAD_ligandFinder
  A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according …
  ☆15Updated 2 years ago
• clinfo / ReTReK
  ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge
  ☆30Updated last year
• MobleyLab / SeparatedTopologies
  Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).
  ☆24Updated 4 months ago
• ADicksonLab / CSNAnalysis
  Tools for creating, analyzing and visualizing Conformation Space Networks
  ☆16Updated 2 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago
• martin-sicho / genui
  The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…
  ☆33Updated last month