Add demo app

README.md

@@ -5,7 +5,8 @@ colorFrom: yellow
 colorTo: blue
 sdk: streamlit
 sdk_version: 1.19.0
-app_file: app.py
+python_version: 3.10.5
+app_file: demo.py
 pinned: false
 license: mit
 ---

demo.py

@@ -0,0 +1,66 @@
+import streamlit as st
+
+st.set_page_config(layout="wide")
+st.header("Demo: Proteins in a grid")
+
+sequences = """MINDLLDISRIISGKMTLDRAEVNLTAIARQVVEEQRQAAEAKSIQLLCSTPDTNHYVFGDFDRLKQTLWNLLSNAVKFTPSGGTVELELGY
+MQGDSSISSSNRMFTLCKPLTVANETSTLSTTRNSKSNKRVSKQRVNLAESPERNAPSPASIKTNETEEFSTIKTTNNEVLGYEPNYVSYDF
+MSTHVSLENTLASLQATFFSLEARHTALETQLLSTRTELAATKQELVRVQAEISRADAQAQDLKAQILTLKEKADQAEVEAAAATQRAEESQ
+MVLLSTGPLPILFLGPSLAELNQKYQVVSDTLLRFTNTVTFNTLKFLGSDS
+MNNDEQPFIMSTSGYAGNTTSSMNSTSDFNTNNKSNTWSNRFSNFIAYFSGVGWFIGAISVIFFIIYVIVFLSRKTKPSGQKQYSRTERNNR
+MEAVYSFTITETGTGTVEVTPLDRTISGADIVYPPDTACVPLTVQPVINANGTWTLGSGCTGHFSVDTTGHVNCLTGGFGAAGVHTVIYTVE
+MGLTTSGGARGFCSLAVLQELVPRPELLFVIDRAFHSGKHAVDMQVVDQEGLGDGVATLLYAHQGLYTCLLQAEARLLGREWAAVPALEPNF
+MGLTTSGGARGFCSLAVLQELVPRPELLFVIDRAFHSGKHAVDMQVVDQEGLGDGVATLLYAHQGLYTCLLQAEARLLGREWAAVPALEPNF
+MGAAGYTGSLILAALKQNPDIAVYALNRNDEKLKDVCGQYSNLKGQVCDLSNESQVEALLSGPRKTVVNLVGPYSFYGSRVLNACIEANCHY""".split(
+    "\n"
+)
+
+import time
+
+import requests
+
+
+@st.cache_data
+def get_pdb(sequence):
+    retries = 0
+    pdb_str = None
+    url = "https://api.esmatlas.com/foldSequence/v1/pdb/"
+    while retries < 3 and pdb_str is None:
+        response = requests.post(url, data=sequence)
+        pdb_str = response.text
+        if pdb_str == "INTERNAL SERVER ERROR":
+            retries += 1
+            time.sleep(0.1)
+            pdb_str = None
+    return pdb_str
+
+
+pdb_strings = []
+
+for seq in sequences:
+    pdb = get_pdb(seq)
+    if pdb:
+        pdb_strings.append(pdb)
+
+grid_size = 3
+
+import py3Dmol
+
+dim = st.number_input("Viewer dim (pk)", value=1300)
+color = st.sidebar.selectbox("Color", ["spectrum", "black", "white"])
+st.markdown("""
+# See protein, cool result
+Herer are my things
+""")
+
+view = py3Dmol.view(width=dim, height=dim, viewergrid=(grid_size, grid_size))
+
+for i, pdb in enumerate(pdb_strings):
+    view.addModel(pdb, "pdb", viewer=(i // grid_size, i % grid_size))
+
+view.zoomTo()
+view.setStyle({"cartoon": {"color": color}})
+
+import stmol
+
+stmol.showmol(view, width=dim, height=dim)

requirements.txt

@@ -0,0 +1,123 @@
+altair==4.2.2; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+anyio==3.6.2; python_full_version >= "3.6.2" and python_version >= "3.8"
+appnope==0.1.3; platform_system == "Darwin" and python_version >= "3.9" and sys_platform == "darwin"
+argon2-cffi-bindings==21.2.0; python_version >= "3.7"
+argon2-cffi==21.3.0; python_version >= "3.8"
+arrow==1.2.3; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+asttokens==2.2.1; python_version >= "3.9"
+attrs==23.1.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+backcall==0.2.0; python_version >= "3.9"
+beautifulsoup4==4.12.2; python_full_version >= "3.6.0" and python_version >= "3.7"
+bleach==6.0.0; python_version >= "3.7"
+blinker==1.6.2; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+cachetools==5.3.0; python_version >= "3.7" and python_version < "4.0" and (python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.6")
+certifi==2023.5.7; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+cffi==1.15.1; implementation_name == "pypy" and python_version >= "3.8"
+charset-normalizer==3.1.0; python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.7.0" or python_full_version > "3.9.7" and python_version >= "3.7"
+click==8.1.3; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+colorama==0.4.6; python_version >= "3.9" and python_full_version < "3.0.0" and platform_system == "Windows" and sys_platform == "win32" or python_version >= "3.9" and python_full_version < "3.9.7" and platform_system == "Windows" and python_full_version >= "3.7.0" and sys_platform == "win32" or python_full_version > "3.9.7" and python_version >= "3.9" and platform_system == "Windows" and sys_platform == "win32"
+comm==0.1.3; python_version >= "3.8"
+debugpy==1.6.7; python_version >= "3.8"
+decorator==5.1.1; python_version >= "3.9" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.9"
+defusedxml==0.7.1; python_version >= "3.7" and python_full_version < "3.0.0" or python_full_version >= "3.5.0" and python_version >= "3.7"
+deprecation==2.1.0; python_version >= "3.7"
+entrypoints==0.4; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+executing==1.2.0; python_version >= "3.9"
+fastjsonschema==2.17.1; python_version >= "3.7"
+fqdn==1.5.1; python_version >= "3.7" and python_version < "4" and python_full_version < "3.9.7" or python_version >= "3.7" and python_version < "4" and python_full_version > "3.9.7"
+gitdb==4.0.10; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+gitpython==3.1.31; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+idna==3.4; python_version >= "3.8" and python_full_version < "3.9.7" and python_full_version >= "3.6.2" or python_full_version > "3.9.7" and python_version >= "3.8"
+importlib-metadata==6.6.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+ipykernel==6.23.1; python_version >= "3.8"
+ipyspeck==0.6.1; python_version >= "3.6"
+ipython-genutils==0.2.0; python_version >= "3.7"
+ipython==8.13.2; python_version >= "3.9"
+ipywidgets==7.6.3; python_version >= "3.6"
+isoduration==20.11.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+jedi==0.18.2; python_version >= "3.9"
+jinja2==3.1.2; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+jsonpointer==2.3; python_version >= "3.7" and python_full_version < "3.0.0" or python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.4.0" or python_full_version > "3.9.7" and python_version >= "3.7"
+jsonschema==4.17.3; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+jupyter-client==8.2.0; python_full_version >= "3.8.0" and python_version >= "3.8"
+jupyter-core==5.3.0; python_full_version >= "3.8.0" and python_version >= "3.8"
+jupyter-events==0.6.3; python_version >= "3.8"
+jupyter-packaging==0.12.3; python_version >= "3.7"
+jupyter-server-terminals==0.4.4; python_version >= "3.8"
+jupyter-server==2.5.0; python_version >= "3.8"
+jupyterlab-pygments==0.2.2; python_version >= "3.7"
+jupyterlab-widgets==3.0.7; python_version >= "3.7"
+markdown-it-py==2.2.0; python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.7.0" or python_full_version > "3.9.7" and python_version >= "3.7"
+markupsafe==2.1.2; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+matplotlib-inline==0.1.6; python_version >= "3.9"
+mdurl==0.1.2; python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.7.0" or python_full_version > "3.9.7" and python_version >= "3.7"
+mistune==2.0.5; python_version >= "3.7"
+nbclassic==1.0.0; python_version >= "3.7"
+nbclient==0.8.0; python_full_version >= "3.8.0" and python_version >= "3.7"
+nbconvert==7.4.0; python_version >= "3.8"
+nbformat==5.8.0; python_full_version >= "3.8.0" and python_version >= "3.8"
+nest-asyncio==1.5.6; python_version >= "3.8"
+notebook-shim==0.2.3; python_version >= "3.7"
+notebook==6.5.4; python_version >= "3.7"
+numpy==1.24.3; python_version >= "3.11" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.11"
+packaging==23.1; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+pandas==2.0.1; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+pandocfilters==1.5.0; python_version >= "3.7" and python_full_version < "3.0.0" or python_full_version >= "3.4.0" and python_version >= "3.7"
+parso==0.8.3; python_version >= "3.9"
+pexpect==4.8.0; sys_platform != "win32" and python_version >= "3.9"
+pickleshare==0.7.5; python_version >= "3.9"
+pillow==9.5.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+platformdirs==3.5.1; python_version >= "3.8"
+prometheus-client==0.16.0; python_version >= "3.8"
+prompt-toolkit==3.0.38; python_full_version >= "3.7.0" and python_version >= "3.9"
+protobuf==3.20.3; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+psutil==5.9.5; python_version >= "3.8" and python_full_version < "3.0.0" or python_full_version >= "3.4.0" and python_version >= "3.8"
+ptyprocess==0.7.0; sys_platform != "win32" and python_version >= "3.9" and os_name != "nt"
+pure-eval==0.2.2; python_version >= "3.9"
+py3dmol==2.0.3
+pyarrow==12.0.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+pycparser==2.21; python_version >= "3.8" and python_full_version < "3.0.0" and implementation_name == "pypy" or implementation_name == "pypy" and python_version >= "3.8" and python_full_version >= "3.4.0"
+pydeck==0.8.1b0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+pygments==2.15.1; python_version >= "3.9" and python_full_version < "3.9.7" and python_full_version >= "3.7.0" or python_full_version > "3.9.7" and python_version >= "3.9"
+pympler==1.0.1; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.6"
+pyrsistent==0.19.3; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+python-dateutil==2.8.2; python_version >= "3.8" and python_full_version < "3.0.0" or python_version >= "3.8" and python_full_version < "3.9.7" and python_full_version >= "3.3.0" or python_full_version > "3.9.7" and python_version >= "3.8"
+python-json-logger==2.0.7; python_version >= "3.8"
+pytz==2023.3; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+pywin32==306; sys_platform == "win32" and platform_python_implementation != "PyPy" and python_version >= "3.8"
+pywinpty==2.0.10; os_name == "nt" and python_version >= "3.8"
+pyyaml==6.0; python_version >= "3.8"
+pyzmq==25.0.2; python_version >= "3.8"
+requests==2.31.0; python_version >= "3.7"
+rfc3339-validator==0.1.4; python_version >= "3.8" and python_full_version < "3.0.0" or python_version >= "3.8" and python_full_version < "3.9.7" and python_full_version >= "3.5.0" or python_full_version > "3.9.7" and python_version >= "3.8"
+rfc3986-validator==0.1.1; python_version >= "3.8" and python_full_version < "3.0.0" or python_version >= "3.8" and python_full_version < "3.9.7" and python_full_version >= "3.5.0" or python_full_version > "3.9.7" and python_version >= "3.8"
+rich==13.3.5; python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.7.0" or python_full_version > "3.9.7" and python_version >= "3.6"
+send2trash==1.8.2; python_version >= "3.8" and python_full_version < "3.0.0" or python_full_version >= "3.5.0" and python_version >= "3.8"
+six==1.16.0; python_version >= "3.9" and python_full_version < "3.0.0" or python_version >= "3.9" and python_full_version < "3.9.7" and python_full_version >= "3.5.0" or python_full_version > "3.9.7" and python_version >= "3.9"
+smmap==5.0.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+sniffio==1.3.0; python_full_version >= "3.6.2" and python_version >= "3.8"
+soupsieve==2.4.1; python_full_version >= "3.6.0" and python_version >= "3.7"
+stack-data==0.6.2; python_version >= "3.9"
+stmol==0.0.9; python_version >= "3.6"
+streamlit==1.22.0; (python_version >= "3.7" and python_full_version < "3.9.7") or (python_full_version > "3.9.7")
+tenacity==8.2.2; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.6"
+terminado==0.17.1; python_version >= "3.8"
+tinycss2==1.2.1; python_version >= "3.7"
+toml==0.10.2; python_version >= "3.7" and python_full_version < "3.0.0" or python_version >= "3.7" and python_full_version < "3.9.7" and python_full_version >= "3.3.0" or python_full_version > "3.9.7" and python_version >= "3.6"
+tomlkit==0.11.8; python_version >= "3.7"
+toolz==0.12.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+tornado==6.3.2; python_version >= "3.8" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.8"
+traitlets==5.9.0; python_full_version >= "3.8.0" and python_version >= "3.9"
+typing-extensions==4.6.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+tzdata==2023.3; python_version >= "3.8" and python_full_version < "3.9.7" and platform_system == "Windows" or python_full_version > "3.9.7" and python_version >= "3.8" and platform_system == "Windows"
+tzlocal==5.0.1; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+uri-template==1.2.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+urllib3==2.0.2; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+validators==0.20.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.6"
+watchdog==3.0.0; python_version >= "3.7" and python_full_version < "3.9.7" and platform_system != "Darwin" or python_full_version > "3.9.7" and platform_system != "Darwin" and python_version >= "3.7"
+wcwidth==0.2.6; python_full_version >= "3.7.0" and python_version >= "3.9"
+webcolors==1.13; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"
+webencodings==0.5.1; python_version >= "3.7"
+websocket-client==1.5.2; python_version >= "3.8"
+widgetsnbextension==3.5.2; python_version >= "3.6"
+zipp==3.15.0; python_version >= "3.7" and python_full_version < "3.9.7" or python_full_version > "3.9.7" and python_version >= "3.7"