MatterSim (Grpaphomer)

Closed weights Microsoft Research AI for Science 182M parameters May 2024

No estimate

No hardware requirements for this model

The weights for this model have not been published, so it cannot be downloaded or run on your own hardware at any size. It is reachable only through its provider, and no graphics card changes that.

On record

Full specification

Everything on record for this model. Most of it describes how it was trained rather than how it runs — useful context for judging how much work went into it, and how it compares with models built at a different scale.

Origin

Who built this model, where, and when it was published.

Organisation
Microsoft Research AI for Science
Organisation type
Industry
Country
United States of America
Published
10 May 2024
Authors
Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Yu Shi, Jielan Li, Guanzhi Li, Zekun Chen, Shuizhou Chen, Claudio Zeni, Matthew Horton, Robert Pinsler, Andrew Fowler, Daniel Zügner, Tian Xie, Jake Smith, Lixin Sun, Qian Wang, Lingyu Kong, Chang Liu, Hongxia Hao, Ziheng Lu

What it does

The problem areas the model was built for. A model can carry several of each.

Domain
Materials science
Task
Atomistic simulations, Molecular simulation

Size

How large the model is and how much data it was trained on. Parameters are the figure that decides whether it fits on a given graphics card.

Parameters
182M

"The total parameters of Graphormer is 182M."

Training data
tokens

"The model is trained for a total of 1,562,500 steps" "The batch size for training is set to 256" "the maximum number of expanded atoms is capped at 256"

Training compute

The arithmetic performed to train the model, measured in floating-point operations. It is a measure of what the training run cost, not of how fast the finished model answers you.

Training compute
1.1 × 10²⁰ FLOP

Speculative confidence because I am unsure how to calculate gradient updates/tokens 6*1,562,500*256*256*182000000=1.118208e+20

How it was established
Operation counting

The training run

What it physically took to train: which chips, how many, for how long, and what that drew from the wall.

Training hardware
NVIDIA A100
Chips used
64
Power draw
50.6 kW

How it is classified

Labels the source dataset applies when tracking notable models, and how confident it is in the entry.

Record confidence
Speculative

Sources

Where this record came from and when it was last checked.

Reference
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
Last updated
11 February 2026

What the numbers mean

About this model

MatterSim (Grpaphomer) was published by Microsoft Research AI for Science, in United States of America, in May 2024. It comes out of industry.

It works in Materials science, and is recorded as doing atomistic simulations, Molecular simulation.

Because the weights are not available, none of the hardware figures elsewhere on this site apply to it.

What went into building it

Training it took roughly 1.1 × 10²⁰ FLOP of computation, on NVIDIA A100 — a measure of what producing the model cost, not of how fast it answers.

Answers

MatterSim (Grpaphomer) — common questions

01

Who created MatterSim (Grpaphomer)?

MatterSim (Grpaphomer) was published by Microsoft Research AI for Science, based in United States of America, categorised as industry.

02

When was MatterSim (Grpaphomer) released?

MatterSim (Grpaphomer) was published in May 2024. Capability per parameter has improved considerably since, so a newer model of the same size is often the better use of the same hardware.

03

What is MatterSim (Grpaphomer) used for?

MatterSim (Grpaphomer) works in Materials science, and is recorded as handling atomistic simulations, Molecular simulation. Models frequently carry more than one of each, and the tags describe purpose rather than capability limits.

04

How much compute was used to train MatterSim (Grpaphomer)?

Around 1.1 × 10²⁰ FLOP, on NVIDIA A100. That measures what producing the model cost and says nothing about how quickly it answers once trained — inference speed comes from memory bandwidth, not from the training budget.

05

What GPU do I need to run MatterSim (Grpaphomer)?

None. MatterSim (Grpaphomer) is a closed model — its weights were never published, so it cannot be downloaded or run on your own hardware at any price. It is reachable only through its provider.

06

Is MatterSim (Grpaphomer) open source?

The licensing for MatterSim (Grpaphomer) was never recorded in our source data. We treat unstated licensing as closed, because an unrecorded licence is not one to rely on.

07

How many parameters does MatterSim (Grpaphomer) have?

MatterSim (Grpaphomer) has 182M parameters. "The total parameters of Graphormer is 182M.". That figure is the total, and it is what decides how much memory the model needs — roughly half a gigabyte per billion at the compression most people use.

Source

Original publication

Record last updated 11 February 2026

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