High-Level Scientific Support
Scientific Support
Specialized.
Access expert consulting in high-performance computing, molecular dynamics, and GPU optimization to accelerate your scientific discoveries.
ESSENTIAL
NFI Cloud: 250 CPU Core-Hours (GROMACS & Vina HPC Pack)
250 high-performance CPU core-hours on NFI Cloud for molecular dynamics simulations (GROMACS 28-Core) and batch virtual screening.
- 250 Horas-Core de CPU en NFI Cloud
- Nodos de 28 núcleos por tarea (#SBATCH --cpus-per-task=28)
- Entorno OpenMPI 4.1.1 y GROMACS preconfigurado
- Partición Slurm q_ys_test1
- Acceso web directo a terminal E-Term y gestor de archivos
ESSENTIAL
NFI Cloud: 600 CPU Core-Hours (High-Throughput MD & Screening)
600 parallel CPU core-hours for full 100ns molecular dynamics trajectories, solvated protein-ligand complexes, and large-scale docking.
- 600 Horas-Core de CPU en NFI Cloud
- Capacidad para simulaciones de 100ns o 15,000 ligandos
- Partición Slurm q_ys_test1 de alta velocidad
- Soporte para minimización, NVT, NPT y Producción
- Monitoreo en tiempo real vía E-Term en navegador
SCIENTIFIC
NFI Cloud: 1,500 CPU Core-Hours (Lead Optimization & MM/PBSA)
1,500 CPU core-hours for comprehensive drug discovery campaigns, extensive multi-replicate MD, and thermodynamic free energy decomposition.
- 1,500 Horas-Core de CPU de alto rendimiento
- Soporte para múltiples réplicas de simulación
- Cálculo intensivo de MM/PBSA y descomposición por residuo
- Cola de ejecución Slurm con prioridad PRO
- Asistencia técnica de NF Innovations para scripts Slurm
ADVANCED
NFI Cloud: 3,500 CPU Core-Hours Monthly (Biotech Enterprise Lab)
Monthly dedicated high-performance computing capacity for pharmaceutical companies and university research groups.
- 3,500 Horas-Core de CPU al mes
- Prioridad máxima de cola en Slurm (Zero Wait)
- Entorno de módulos personalizado (GROMACS, Amber, Python, RDKit)
- Acceso multi-usuario vía escritorio web E-Term
- Soporte técnico 24/7 y optimización de scripts por NF Innovations
ENTERPRISE
Dedicated HPC Research Engineer
Premium ongoing scientific support with dedicated HPC research engineering assistance.
- Dedicated engineer
- Priority support
- Workflow consulting
- Advanced optimization
- Scientific collaboration
ESSENTIAL
Molecular Dynamics Execution Support
Professional support for running molecular dynamics simulations on HPC clusters.
- GROMACS support
- Slurm assistance
- CUDA/MPI troubleshooting
- HPC onboarding
- Simulation execution guidance
ADVANCED
HPC Performance Optimization for GROMACS
Advanced optimization service for slow or inefficient molecular dynamics workloads.
- GPU optimization
- MPI/OpenMP tuning
- NUMA pinning
- Performance profiling
- HPC scaling optimization
SCIENTIFIC
Molecular Dynamics Analysis & Reporting
Scientific post-processing and analysis for molecular dynamics simulations.
- RMSD analysis
- RMSF analysis
- MM/PBSA
- Radius of gyration
- Scientific reports
ESSENTIAL
Scientific Software Deployment for HPC
Professional installation and optimized compilation of scientific software stacks.
- CUDA setup
- MPI installation
- Scientific software deployment
- Optimized compilation
- HPC environment configuration
ADVANCED
AI-Assisted Drug Discovery Workflows
Advanced AI-assisted scientific workflows for molecular modeling and docking.
- AI workflows
- Drug discovery pipelines
- Scientific automation
- Python scripting
- Molecular modeling
ESSENTIAL
Launch Your First HPC Simulation
Guided onboarding experience for researchers new to HPC environments.
- HPC onboarding
- Linux basics
- SSH setup
- Slurm training
- Guided first simulation
Capability Matrix
Compare Support
Service Levels.
| Feature | ESSENTIAL | ESSENTIAL | SCIENTIFIC | ADVANCED | ENTERPRISE | ESSENTIAL | ADVANCED | SCIENTIFIC | ESSENTIAL | ADVANCED | ESSENTIAL |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 250 Horas-Core de CPU en NFI Cloud | |||||||||||
| Nodos de 28 núcleos por tarea (#SBATCH --cpus-per-task=28) | |||||||||||
| Entorno OpenMPI 4.1.1 y GROMACS preconfigurado | |||||||||||
| Partición Slurm q_ys_test1 | |||||||||||
| Acceso web directo a terminal E-Term y gestor de archivos | |||||||||||
| 600 Horas-Core de CPU en NFI Cloud | |||||||||||
| Capacidad para simulaciones de 100ns o 15,000 ligandos | |||||||||||
| Partición Slurm q_ys_test1 de alta velocidad | |||||||||||
| Soporte para minimización, NVT, NPT y Producción | |||||||||||
| Monitoreo en tiempo real vía E-Term en navegador | |||||||||||
| 1,500 Horas-Core de CPU de alto rendimiento | |||||||||||
| Soporte para múltiples réplicas de simulación | |||||||||||
| Cálculo intensivo de MM/PBSA y descomposición por residuo | |||||||||||
| Cola de ejecución Slurm con prioridad PRO | |||||||||||
| Asistencia técnica de NF Innovations para scripts Slurm | |||||||||||
| 3,500 Horas-Core de CPU al mes | |||||||||||
| Prioridad máxima de cola en Slurm (Zero Wait) | |||||||||||
| Entorno de módulos personalizado (GROMACS, Amber, Python, RDKit) | |||||||||||
| Acceso multi-usuario vía escritorio web E-Term | |||||||||||
| Soporte técnico 24/7 y optimización de scripts por NF Innovations | |||||||||||
| Dedicated engineer | |||||||||||
| Priority support | |||||||||||
| Workflow consulting | |||||||||||
| Advanced optimization | |||||||||||
| Scientific collaboration | |||||||||||
| GROMACS support | |||||||||||
| Slurm assistance | |||||||||||
| CUDA/MPI troubleshooting | |||||||||||
| HPC onboarding | |||||||||||
| Simulation execution guidance | |||||||||||
| GPU optimization | |||||||||||
| MPI/OpenMP tuning | |||||||||||
| NUMA pinning | |||||||||||
| Performance profiling | |||||||||||
| HPC scaling optimization | |||||||||||
| RMSD analysis | |||||||||||
| RMSF analysis | |||||||||||
| MM/PBSA | |||||||||||
| Radius of gyration | |||||||||||
| Scientific reports | |||||||||||
| CUDA setup | |||||||||||
| MPI installation | |||||||||||
| Scientific software deployment | |||||||||||
| Optimized compilation | |||||||||||
| HPC environment configuration | |||||||||||
| AI workflows | |||||||||||
| Drug discovery pipelines | |||||||||||
| Scientific automation | |||||||||||
| Python scripting | |||||||||||
| Molecular modeling | |||||||||||
| Linux basics | |||||||||||
| SSH setup | |||||||||||
| Slurm training | |||||||||||
| Guided first simulation | |||||||||||
| Response Time | Instant / < 4 Hours | Instant / < 4 Hour | 60 Minutes Priority | 15 Minutes / 24/7 Priority | 4h | 24h | 12h | 48h | 24h | 8h | 24h |
Software Ecosystem
Supported
Applications.
We optimize and support the most demanding scientific software stacks for GPU and CPU infrastructures.
