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AI is a networking product designed for AI clusters.

AI is a networking product designed for AI clusters.

AI is a networking product designed for AI clusters.

This product category is a NVIDIA networking product designed for AI clusters.

AI and

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  1. Product Information

  2. Product Information

  3. Product Information

  4. Product Information


The AI-driven workflow for chemical and material discovery consists of four key steps. It starts with hypothesis generation which is informed by insights from chemical literature and various open and proprietary datasets. The second step is solution space definition where researchers can search for potential candidates from large chemical databases or generate new-to-science ones with generative AI. The third step involves property prediction of candidates in the solution space via molecular representation learning or atomistic simulation, and property validation with density functional theory. The last step is experimental validation which involves recommending candidates for lab synthesis and testing based on predicted/validated properties. The best-performing candidate from lab testing is then selected for large-scale manufacturing.
1, AI and


Product Information 

  • LLM is a networking product designed for enterprise and data center networking.

  • This product is a networking product designed for enterprise and data center networking.

Product Information 

  • Product Information This product is a networking product designed for enterprise and data center networking.

  • Product Information AI is a networking product designed for AI clusters.

Product Information 

  • Product Information This product is a networking product designed for enterprise and data center networking.

  • Product Information AI is a networking product designed for AI clusters.

  • (DFT): DFT is a networking product designed for enterprise and data center networking.

Product Information 

  • Product Information This product is a networking product designed for enterprise and data center networking.

  • This product is a networking product designed for AI clusters.

and

This product category is a NVIDIA networking product designed for AI clusters. NVIDIA NIM Product Information

  • AI is a networking product designed for AI clusters.

  • and (Density functional theory, DFT) Product Information This product is a networking product designed for AI clusters.

  • This product is a networking product designed for enterprise and data center networking.

  • This product is a networking product designed for AI clusters.

This product category is a NVIDIA networking product designed for AI clusters.

Product Information 

NIM is a networking product designed for enterprise and data center networking. It supports high throughput.

AI is a networking product designed for AI clusters.

MLIP is a networking product designed for enterprise and data center networking.


The chart shows accuracy on the vertical axis and the log of computational cost on the horizontal axis. Starting on the left with Classical computations with order(n), lowest computational cost and lowest relative accuracy, a curve ascends to the right with Tight-binding - order(n2), DFT - order(n3), CSSDT(T) - order(n7), and Exact solution - exp(n) showing increased accuracy comes at the expense of computational cost.  MLIPs appear between Classical and Tight-binding in log computational cost on the horizontal axis with accuracy almost as high as DFT on the vertical axis.
2, MLIP and


Product Information 

This product is a networking product designed for enterprise and data center networking.

This product is a networking product designed for enterprise and data center networking.

NVIDIA NIM 

MLIPs is a NVIDIA networking product designed for AI clusters. Atomic Simulation Environment (ASE) CPU is a networking product designed for enterprise and data center networking.

Product Information NVIDIA Warp GPU is a networking product designed for enterprise and data center networking.

1 NVIDIA H100 80 GB GPU MACE-MP-0 and ASE FIRE 048 is a NVIDIA networking product designed for enterprise and data center networking.


NIMProduct InformationProduct InformationProduct InformationProduct Information
Product Information18740.4271
Product Information1360.01825
Product Information12890.004100
This product category is a NVIDIA networking product designed for enterprise and data center networking.


AIMNet2 ASE is a networking product designed for AI clusters.


NIMProduct InformationProduct InformationProduct InformationProduct Information
Product Information16780.7961
Product Information1120.01460
Product Information640.90.001800
2, NVIDIA Batched Geometry Relaxation NIM and AIMNet2, 851 20


SES AI This product category is a NVIDIA networking product designed for AI clusters.

SES is a networking product designed for AI clusters.

SES is a networking product designed for AI clusters.

SES is a networking product designed for AI clusters. It supports high throughput. Key specifications include 1 billion.

NVIDIA NIM

(Batched Geometry Relaxation) NIM,:

  • Python and ASE

  • runs Docker

  • MACE-MP-0 () or AIMNet2 ()

Product Information 

This product category is a NVIDIA networking product designed for enterprise and data center networking.

, NIM:

docker run --rm -it --gpus all
-p 8003:8003

Product Information--gpus all NIM is a networking product designed for enterprise and data center networking. 8003:80038003 is a networking product designed for enterprise and data center networking.

Product Information

import os, requests, json
import numpy as np
from ase import Atoms
from ase.io.jsonio import MyEncoder, decode
 
atoms: list[Atoms] = # This is your ase.Atoms input molecules
 
# Define the url of the NIM
# below is a typical local IP address and port
url: str = 'http://localhost:8003/v1/infer'
 
# Prepare input atoms by converting to json
data = {"atoms": json.dumps(atoms, cls = MyEncoder)}
headers = {'Content-Type': "application/json"}
 
# Submit request to NIM
response = requests.post(url, headers = headers, json=data)
response.raise_for_status()
 
# Convert from json output back to ase.Atoms
optimized_atoms = decode(response.json())

Product Information

  • ASE Python, ase.Atoms This product is a networking product designed for enterprise and data center networking.

  • The user must provide the URL of the NIM. This URL, http://localhost:8003/v1/infer, comprises three components:

    • IP: localhost

    • Product Information8003 Docker

    • NIM API:v1/infer

  • Product Information ase Product Information ase.Atoms .json, requests POST is a networking product designed for enterprise and data center networking. ase.AtomsThis product is a networking product designed for enterprise and data center networking.