License Usage per GPU Calculator
Schrödinger's Desmond GPU-based products—including Desmond, WaterMap, and FEP+—utilize a token-based licensing model scaled by the computational power (CUDA cores) of the underlying hardware. A 2026 update simplifies the previous decimal-based system by rounding the tokens in a more standardized fashion.
Interactive Token Calculator
Use this calculator to determine the exact token requirement for your configuration based on hardware model or a custom CUDA core count.
GPU Hardware
Number of GPUs
CUDA Core Count
Tokens per Card
16
Total Tokens
16
1
Total Licenses
Calculation Breakdown
The Core Formula
The token requirements remains anchored to a baseline where one standard GPU license equals 16 tokens, historically mapped to 5,120 CUDA cores (the V100). To eliminate fractional license calculation and ensure jobs fit into standard 16-token buckets, we apply the following logic:
Rounding Tiers
Low-End / MIG Instances (Baseline Tokens < 16): Rounded to the nearest multiple of 4. This standardizes smaller/older cards into clean quadrants (e.g., 4, 8, or 12 tokens).
High-End / Datacenter Cards (Baseline Tokens ≥ 16): Floored to the nearest multiple of 16. This ensures cards like the H100 or A100 map to 16-token “license" units.
CUDA core and license token requirements
This table outlines the CUDA core and license token requirements for the most commonly used and supported hardware configurations:
| Category | Card | CUDA Cores | Tokens (DESMOND_GPGPU) | Licenses | ||
| Data Center | V100 |
5,120 |
16 | 1.0 | ||
| T4 |
2,560 |
8 | 0.5 | |||
| A100 |
6,912 |
16 | 1.0 | |||
| L4 |
7,680 |
16 | 1.0 | |||
| H100 |
14,592 |
32 | 2.0 | |||
| B200 |
18,944 |
64 | 4.0 | |||
| RTX PRO 6000 Blackwell |
24,064 |
64 | 4.0 | |||
| Data Center MIG | A100 1g | 896 | 4 | .25 | ||
| H100 1g | 1,792 | 4 | .25 | |||
| B200 1g | 2,304 | 8 | 0.5 | |||
| RTX PRO 6000 Blackwell 1g | 5,888 |
16 |
1.0 | |||
| Desktop | Quadro RTX 5000 |
3,072 |
8 | 0.5 | ||
| Quadro RTX A5000 |
8,192 |
16 | 1.0 | |||
| Quadro RTX A4000 |
6,144 |
16 | 1.0 | |||
| Quadro RTX 2000 ADA |
2,816 |
8 | 0.5 | |||
| Quadro RTX 4000 SFF ADA |
6,144 |
16 | 1.0 | |||
| RTX PRO 4000 SFF Blackwell |
8,960 |
16 | 1.0 | |||
|
Technical Notes
Single license exception: 2026-2 will be the final version where a single Desmond, WaterMap, or FEP+ license is sufficient to run on a single GPU regardless of its CUDA core count. Under the new scheme all currently supported desktop cards still require 1 license but single high end data center cards such as the H100, B200 will now require multiple licenses to run GPU computations.
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Queuing System Integration
In order for queuing systems to reserve the correct number of licenses, each GPU host entry must be configured to submit to one specific GPU type and have a field that specifies the number of cuda compute cores available on a single one of those GPU types.