schrodinger / linux_package_requirementLinks
Script to check required packages for Schrödinger suite on Linux machine
☆13Updated last week
Alternatives and similar repositories for linux_package_requirement
Users that are interested in linux_package_requirement are comparing it to the libraries listed below
Sorting:
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆32Updated last month
- ☆52Updated 7 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆62Updated 3 weeks ago
- ☆99Updated 9 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Updated last year
- ☆38Updated 4 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated this week
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆76Updated 8 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆45Updated 3 weeks ago
- ☆52Updated 2 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- ☆27Updated 4 years ago
- Contact map analysis for biomolecules; based on MDTraj☆47Updated 11 months ago
- Exploratory PyMOL-MDAnalysis molecular visualization system.☆19Updated 3 years ago
- A collections of scripts for working molecular dynamics simulations☆44Updated 4 months ago
- ☆21Updated last year
- ☆28Updated 7 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆56Updated this week
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 6 months ago
- ☆33Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated 2 weeks ago
- Fully automated high-throughput MD pipeline☆85Updated 3 months ago
- ☆19Updated 11 months ago
- RF-Score-VS binary☆31Updated 7 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆45Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Updated last month