whitead / emoji-chemLinks
🥳emojis in chemistry⚗️🥳
☆25Updated 2 years ago
Alternatives and similar repositories for emoji-chem
Users that are interested in emoji-chem are comparing it to the libraries listed below
Sorting:
- Δ-QML for medicinal chemistry☆102Updated 5 months ago
- Enable cheminformatics and quantum chemistry☆76Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- Molecular bloom filter tool☆125Updated last month
- Draw molecules with plotly!☆50Updated 6 months ago
- How to analyze molecular dynamics data with PyEMMA☆78Updated 6 years ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆77Updated this week
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆84Updated 2 weeks ago
- Given an RDKit molecule that does not sanitise, correct it until it does☆41Updated last year
- Physical validation of molecular simulations☆57Updated 3 months ago
- In silico chemical library engine for high-accuracy chemical property prediction☆61Updated 5 months ago
- A Fast Chemical Graph Generator☆86Updated 2 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Updated last month
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆70Updated 4 months ago
- Experimental small molecule hydration free energy dataset☆30Updated 3 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- ☆55Updated 4 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- psi4+RDKit☆102Updated 4 months ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆71Updated 4 months ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆80Updated 3 weeks ago
- The MDAnalysis Toolkits Registry☆18Updated this week
- Simple, lightweight package for genetic algorithms on molecules☆56Updated 11 months ago
- This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and an…☆16Updated last year
- A comprehensive toolkit for predicting free energies☆56Updated 8 months ago
- 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…☆54Updated last year
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆129Updated last week
- Kinase-focused fragment library☆66Updated this week
- CAlculation of NMR Chemical Shifts using Deep LEarning☆58Updated 2 years ago