Support Matrix#

Supported Hardware#

Minimum System Hardware Requirements#

CPU Cores	RAM (GB)	NVMe SSD Storage (GB)	GPU Count
4	8	40	1 GPU from the list of Supported NVIDIA GPUs

Note

The NVMe SSD Storage requirement of 40GB accounts for the DiffDock NIM image size plus additional space for Docker layer caching and temporary files during runtime.

Supported NVIDIA GPUs#

The DiffDock NIM is configured to run on a single GPU. The following configurations have been specifically tested for optimal performance and stability. We recommend using one of the following tested configurations:

GPU	GPU Memory (GB)	Microarchitecture	Precision	GPU Count
H100	80	Hopper	BF16	1
A100	40-80	Ampere	BF16	1
L40S	48	Ada Lovelace	BF16	1
A6000	48	Ampere	BF16	1
A10G	24	Ampere	BF16	1

Note

For detailed performance benchmarks on these GPUs, refer to the Performance section.

Testing Locally Available Hardware#

Begin with Docker-supported operating system
Install Docker - minimum version: 23.0.1
Install NVIDIA Drivers - minimum version: 535.104.05
Install the NVIDIA Container Toolkit - minimum version: 1.13.5
Verify your container runtime supports NVIDIA GPUs by running

docker run --rm --runtime=nvidia --gpus 1 ubuntu nvidia-smi

Example output:

+-----------------------------------------------------------------------------+
| NVIDIA-SMI 525.78.01    Driver Version: 525.78.01    CUDA Version: 12.0     |
|-------------------------------+----------------------+----------------------+
| GPU  Name        Persistence-M| Bus-Id        Disp.A | Volatile Uncorr. ECC |
| Fan  Temp  Perf  Pwr:Usage/Cap|         Memory-Usage | GPU-Util  Compute M. |
|                               |                      |               MIG M. |
|===============================+======================+======================|
|   0  NVIDIA GeForce ...  Off  | 00000000:01:00.0 Off |                  N/A |
| 41%   30C    P8     1W / 260W |   2244MiB / 11264MiB |      0%      Default |
|                               |                      |                  N/A |
+-------------------------------+----------------------+----------------------+

+-----------------------------------------------------------------------------+
| Processes:                                                                  |
|  GPU   GI   CI        PID   Type   Process name                  GPU Memory |
|        ID   ID                                                   Usage      |
|=============================================================================|
+-----------------------------------------------------------------------------+