Alternatives and similar repositories for emoji-chem:

Users that are interested in emoji-chem are comparing it to the libraries listed below

• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 2 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆36Updated 9 months ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆57Updated 11 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated last month
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆66Updated last month
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆122Updated last month
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆72Updated last year
• czodrowskilab / 5minfame
  ☆35Updated last year
• Becksteinlab / MDPOW
  Calculation of water/solvent partition coefficients with Gromacs.
  ☆26Updated 3 months ago
• iribirii / smiles2svg
  ☆25Updated last year
• choderalab / qmlify
  ☆42Updated 2 years ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated this week
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 3 weeks ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆57Updated 7 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆64Updated last year
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆19Updated 5 months ago
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆51Updated 8 months ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆42Updated 3 years ago
• molecularinformatics / roshambo
  ☆70Updated 5 months ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆56Updated 6 years ago
• xchem / fragalysis
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated last year
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆50Updated 3 weeks ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆30Updated this week
• samplchallenges / SAMPL8
  Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
  ☆23Updated 2 months ago
• MDAnalysis / MDAKits
  The MDAnalysis Toolkits Registry
  ☆17Updated this week
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆33Updated this week
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated this week
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆73Updated 5 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆98Updated 2 years ago