UnixJunkie / dimorphite_dlLinks
Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
☆19Updated 2 years ago
Alternatives and similar repositories for dimorphite_dl
Users that are interested in dimorphite_dl are comparing it to the libraries listed below
Sorting:
- ☆47Updated 5 years ago
- ☆35Updated last year
- Dynamic pharmacophore modeling of molecular interactions☆36Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated last year
- Mordred port in cpp☆50Updated 7 months ago
- ☆31Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆27Updated last month
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆43Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated 3 weeks ago
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- An open library to work with pharmacophores.☆46Updated 2 years ago
- 13th RDKit UGM. 11-13 September in Zurich, Switzerland☆27Updated 10 months ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆39Updated 2 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated 3 weeks ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆43Updated 3 weeks ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆30Updated 5 months ago
- Machine Learning model for molecular micro-pKa prediction☆43Updated last year
- ☆23Updated last week
- ☆55Updated 3 weeks ago
- ☆39Updated 3 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆54Updated 6 months ago
- Computational Chemistry Workflows☆55Updated 3 years ago
- ☆31Updated last year
- ☆27Updated last year
- ☆17Updated last year
- ☆17Updated last year
- Fast Molecular Property Prediction with mordredcommunity☆52Updated 3 weeks ago