QC Score

GPU-Accelerated, quantum chemistry (DFT) scoring tool for advancing drug discovery.

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Transform Your
Drug Discovery Process

Part of the industry-leading Promethium GPU-powered molecular discovery platform, QCScore delivers unprecedented speed and accuracy in protein-ligand interaction analysis—enabling high-throughput quantum chemical scoring earlier in your optimization funnel.

Breakthrough Performance Metrics

5-15

minutes per typical, drug-like ligands

1000

ligands in parallel

<1

hour for 1000 ligands

100%

parameter-free

Proven Superior Performance

The QC Score tool delivers competitive accuracy with dramatically faster computation times.

QC Score is also a fully first-principles tool and has been benchmarked against industry-standard methods and datasets.

Dataset QC Score Timing QC Score FEP+ MM-GBSA GLIDE (Docking) GLIDE (Score)
TNKS2 0.41 0.22 0.07 0.14 0.22
c-MET 0.49 0.82 0.36 0.00 0.34
Eg5 0.35 0.36 0.02 0.00 0.02
SHP2 0.44 0.50 0.04 0.19 0.54
PFKFB3 0.44 0.58 0.25 0.22 0.23
CDK8 0.42 0.56 0.57 0.00 0.28

Ultra-Fast GPU Processing

Powered by Promethium's GPU quantum chemistry engine, process thousands of ligands in parallel. Typical calculations complete in 5-15 minutes per system, with 1000 ligands finishing in under an hour.

Quantum-Level Accuracy

Fully ab initio calculations with no empirical parameters required. Advanced solvation modeling via PCM ensures accurate ranking of congeneric ligand series across diverse protein targets.

Fully Automated Workflow

Intuitive interface requires minimal setup with automated clash removal and geometry optimization. Results obtained in minutes with cloud-native scalability and parallel processing.

Early-Stage Optimization

Apply high-accuracy quantum methods earlier in your lead optimization funnel, avoiding premature screening of ligands that would ultimately meet your experimental profile.

Why Choose QC Score?

Traditional Methods
Complex setup and configuration
Requires extensive parameterization
Days for high-throughput screening
Limited accuracy for charged species
Poor scalability for large studies
QC Score Platform
Minimal setup, intuitive interface
No experimental data required
Hours for 1000s of ligands
Fully ab initio and parameter-free
Excellent for charged ligands
Massive parallel processing capability

Key Platform Features

  • Proprietary fragmentation-based quantum chemistry
  • Advanced PCM solvation modeling
  • Automated binding site cutout definition (3-10 Å)
  • GPU-accelerated quantum chemistry engine
  • Optional ligand strain energy calculations
  • Cloud-native scalability for high-throughput

Ready to Accelerate Your Discovery?

Join leading pharmaceutical companies already using QCScore to revolutionize their drug discovery pipelines.

Request a Demo Today