Graph Machine Learning
frostedoyster commited on
Commit
113ede3
·
verified ·
1 Parent(s): 8907a6a

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +30 -3
README.md CHANGED
@@ -1,3 +1,30 @@
1
- ---
2
- license: apache-2.0
3
- ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ license: apache-2.0
3
+ pipeline_tag: graph-ml
4
+ ---
5
+
6
+ # Model Card for Model ID
7
+
8
+ This repository contains the FlashMD universal models. These are models designed to run accelerated molecular dynamics for chemical systems across the periodic table.
9
+
10
+ ## Model Details
11
+
12
+ These models offer acceleration with respect to traditional molecular dynamics by allowing the use of larger steps. We offer models that predict molecular dynamics
13
+ using the following time steps:
14
+
15
+ - 1 fs
16
+ - 4 fs
17
+ - 8 fs
18
+ - 16 fs
19
+ - 32 fs
20
+ - 64 fs
21
+
22
+ ### Model Sources
23
+
24
+ - **Repository:** https://github.com/lab-cosmo/flashmd
25
+ - **Paper [optional]:** Not yet available
26
+ - **Demo [optional]:** Not yet available
27
+
28
+ ## How to use
29
+
30
+ These models are supposed to be used with the flashmd package, which is available on PyPI (`pip install flashmd`).