yesint / molar
Repository for molar crate and its dependencies
☆22Updated this week
Alternatives and similar repositories for molar:
Users that are interested in molar are comparing it to the libraries listed below
- A Rust implementation of the LightDock macromolecular docking software☆26Updated 9 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆73Updated last month
- mmCIF Core Access Library☆40Updated last week
- PyMOL-wasm port's binary and html/javascript code☆19Updated last year
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Updated 5 months ago
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆35Updated last year
- A comprehensive toolkit for predicting free energies☆50Updated last week
- A bridge between Biotite and OpenMM☆13Updated 8 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆34Updated last month
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆17Updated 3 months ago
- Pymol ScrIpt COllection (PSICO)☆58Updated 5 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆25Updated this week
- maestro file parser☆23Updated last week
- Force Distribution Analysis (FDA) for GROMACS☆31Updated 7 months ago
- ☆22Updated last year
- Cloud-based Drug Binding Structure Prediction☆34Updated 4 months ago
- Calculation of interatomic interactions in molecular structures☆82Updated 4 months ago
- Sire Molecular Simulations Framework☆46Updated this week
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆35Updated 9 months ago
- pKa estimates for proteins using an ensemble approach☆27Updated 3 months ago
- ☆26Updated last year
- Printing text using protein structures☆13Updated 3 years ago
- A simple Git cheat sheet☆7Updated 4 years ago
- A Python toolbox to work with molecular similarity☆36Updated 5 months ago
- Functions to scrape GPCR data from the web.☆16Updated 3 years ago
- ☆32Updated 3 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆24Updated 2 months ago
- Python package to manage protein structures and their annotations☆41Updated 10 months ago