readme add matcalc logo and document matcalc purpose for MP

.pre-commit-config.yaml

@@ -1,5 +1,3 @@
-exclude: ^(docs|.*test_files|cmd_line|tasks.py)
-
 ci:
   autoupdate_schedule: monthly
   skip: [mypy]
@@ -8,7 +6,7 @@ ci:
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.0.278
+    rev: v0.0.282
     hooks:
       - id: ruff
         args: [--fix]
@@ -24,7 +22,7 @@ repos:
   - repo: https://github.com/psf/black
     rev: 23.7.0
     hooks:
-      - id: black
+      - id: black-jupyter
 
   - repo: https://github.com/pre-commit/mirrors-mypy
     rev: v1.4.1

README.md

@@ -1,3 +1,7 @@
+<p align="center">
+  <img src="https://github.com/materialsvirtuallab/matcalc/assets/30958850/89486f2f-73fb-40fb-803a-dfafe510eb6d" width="200" height="200" alt="matcalc logo" align="center" />
+</p>
+
 # MatCalc
 
 [![GitHub license](https://img.shields.io/github/license/materialsvirtuallab/matcalc)](https://github.com/materialsvirtuallab/matcalc/blob/main/LICENSE)
@@ -15,6 +19,8 @@ Calculating various materials properties can require relatively involved setup o
 goal of MatCalc is to provide a simplified, consistent interface to access these properties with any
 parameterization of the PES.
 
+The purpose of MatCalc is to a unified interface for integrating MLIPs into the Materials Project (MP) [Builders infrastructure](https://github.com/materialsproject/emmet) and eventually integrate ML predictions into the MP Code database.
+
 ## Outline
 
 The main base class in MatCalc is PropCalc (property calculator). All PropCalc subclasses should implement a