Troubleshooting Makya Generations
Datasets
Projects
Generators
- What is a Generator?
- Which Generator should I use?
- Which rewards can be optimized?
- Generator: Fragment Growing
- Generator: Fragment Linking
- Generator: Fine Tuning
Results: Visualization and Analysis
QSAR
- Makya's QSAR Module
- Continuous classification model
- Creating a new QSAR by defining a Target Product Profile (TPP)
- Reading the risk matrix
- Visualizing QSAR model performances
- QSAR model scores interpretation
3D Ligand-Based Settings
3D Structure-Based Settings
- Before Makya: Preparation of the Input Files
- Upload and Auto-Preparation of 3D Files
- Set-up of 3D Structure-Based Parameters
- Set-up of a Generator with 3D SB Rewards
- Analysis of Molecules Generated with 3D SB Scores
- Rescoring of molecules with 3D SB scores