Boltzgen ++
Optimized Boltzgen pipeline with negative/off-targets and scaffold
1
Input
Target protein + negative/off-targets + scaffold
2
Generate
Candidate sequences (BoltzGen)
3
Score
Affinity (target), Selectivity (negative targets), Property predictions (solubility, stability, etc.). Optionally use multi-objective ranking (Pareto front of affinity vs selectivity vs solubility)
4
Filter
Rank and keep the best candidates. After this step, you may re-generate (return to step 2) variants for further improvement
5
Output
Optimized binders