opensourceantibiotics / murligaseLinks
Everything to do with the Mur Ligase Project
☆28Updated 3 months ago
Alternatives and similar repositories for murligase
Users that are interested in murligase are comparing it to the libraries listed below
Sorting:
- Kinase-focused fragment library☆65Updated this week
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- RF-Score-VS binary☆31Updated 6 years ago
- Structure-informed machine learning for kinase modeling☆55Updated this week
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- ☆45Updated 4 years ago
- Various tutorials about MD setup and analysis, protein-ligand docking, machine learning and lots of other interesting things.☆34Updated 4 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- ☆31Updated 2 months ago
- ☆91Updated 4 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- substructure search in large combinatorial spaces using openchemlib☆22Updated 2 weeks ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆46Updated 4 months ago
- ☆57Updated 2 years ago
- Thompson Sampling☆69Updated last month
- ☆28Updated last month
- PyRod - Tracing water molecules in molecular dynamics simulations☆47Updated 4 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 3 years ago
- pythonic interface to virtual screening software☆87Updated 2 years ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- Practical Cheminformatics Blog Posts☆61Updated 2 weeks ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆49Updated 4 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆37Updated 3 years ago
- Mordred port in cpp☆49Updated 3 months ago