boltz2-python-client 0.5.0__tar.gz → 0.5.1__tar.gz

{boltz2_python_client-0.5.0 → boltz2_python_client-0.5.1}/CHANGELOG.md

@@ -2,6 +2,12 @@
 
 All notable changes to this project will be documented in this file.
 
+## [0.5.1] - 2026-04-07
+
+### Fixed
+- CLI `metadata` command now shows a clear error for SageMaker endpoints instead of a cryptic `NoneType` error
+- SageMaker endpoint exception handling cleanup in CLI
+
 ## [0.5.0] - 2026-04-07
 
 ### Added

{boltz2_python_client-0.5.0/boltz2_python_client.egg-info → boltz2_python_client-0.5.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: boltz2-python-client
-Version: 0.5.0
+Version: 0.5.1
 Summary: Python client for Boltz-2 protein structure prediction API with covalent complex and multi-endpoint support
 Author-email: NVIDIA Corporation <bionemo-support@nvidia.com>
 Maintainer-email: NVIDIA Corporation <bionemo-support@nvidia.com>
@@ -167,18 +167,43 @@ client = Boltz2Client(
 ### AWS SageMaker Endpoint
 
 ```python
-client = Boltz2Client(
+from boltz2_client import Boltz2SyncClient
+
+# Requires: pip install "boltz2-python-client[sagemaker]"
+# AWS credentials must be configured (e.g. via AWS_ACCESS_KEY_ID/AWS_SECRET_ACCESS_KEY
+# environment variables, ~/.aws/credentials, or an IAM role)
+
+client = Boltz2SyncClient(
     endpoint_type="sagemaker",
     sagemaker_endpoint_name="my-boltz2-endpoint",
     sagemaker_region="us-east-1",
 )
-```
 
-Requires `pip install "boltz2-python-client[sagemaker]"` and AWS credentials.
+# Health check (calls describe_endpoint under the hood)
+health = client.health_check()
+print(f"Endpoint status: {health.status}")
+
+# Predict protein structure — same API as local/hosted endpoints
+result = client.predict_protein_structure(
+    sequence="MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG",
+    recycling_steps=3,
+    sampling_steps=200,
+)
+print(f"Confidence: {result.confidence_scores[0]:.3f}")
+
+# Protein-ligand with affinity prediction
+result = client.predict_protein_ligand_complex(
+    protein_sequence="MKTVRQERLK...",
+    ligand_smiles="CC(=O)OC1=CC=CC=C1C(=O)O",
+    predict_affinity=True,
+)
+```
 
 ```bash
-# CLI
+# CLI — all commands work with SageMaker by adding the endpoint flags
 boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint health
+boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint \
+    protein "MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG"
 ```
 
 ## Supported Prediction Types

{boltz2_python_client-0.5.0 → boltz2_python_client-0.5.1}/README.md

@@ -121,18 +121,43 @@ client = Boltz2Client(
 ### AWS SageMaker Endpoint
 
 ```python
-client = Boltz2Client(
+from boltz2_client import Boltz2SyncClient
+
+# Requires: pip install "boltz2-python-client[sagemaker]"
+# AWS credentials must be configured (e.g. via AWS_ACCESS_KEY_ID/AWS_SECRET_ACCESS_KEY
+# environment variables, ~/.aws/credentials, or an IAM role)
+
+client = Boltz2SyncClient(
     endpoint_type="sagemaker",
     sagemaker_endpoint_name="my-boltz2-endpoint",
     sagemaker_region="us-east-1",
 )
-```
 
-Requires `pip install "boltz2-python-client[sagemaker]"` and AWS credentials.
+# Health check (calls describe_endpoint under the hood)
+health = client.health_check()
+print(f"Endpoint status: {health.status}")
+
+# Predict protein structure — same API as local/hosted endpoints
+result = client.predict_protein_structure(
+    sequence="MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG",
+    recycling_steps=3,
+    sampling_steps=200,
+)
+print(f"Confidence: {result.confidence_scores[0]:.3f}")
+
+# Protein-ligand with affinity prediction
+result = client.predict_protein_ligand_complex(
+    protein_sequence="MKTVRQERLK...",
+    ligand_smiles="CC(=O)OC1=CC=CC=C1C(=O)O",
+    predict_affinity=True,
+)
+```
 
 ```bash
-# CLI
+# CLI — all commands work with SageMaker by adding the endpoint flags
 boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint health
+boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint \
+    protein "MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG"
 ```
 
 ## Supported Prediction Types

{boltz2_python_client-0.5.0 → boltz2_python_client-0.5.1}/boltz2_client/__init__.py

@@ -26,7 +26,7 @@ Example:
     >>> print(f"Confidence: {result.confidence_scores[0]:.3f}")
 """
 
-__version__ = "0.5.0"
+__version__ = "0.5.1"
 __author__ = "NVIDIA Corporation"
 __email__ = "bionemo-support@nvidia.com"
 

{boltz2_python_client-0.5.0 → boltz2_python_client-0.5.1}/boltz2_client/cli/info.py

@@ -78,6 +78,11 @@ def metadata(ctx):
     """Get service metadata and model information."""
     async def get_metadata():
         try:
+            if ctx.obj.get('endpoint_type') == 'sagemaker':
+                print_error("Metadata endpoint is not available for SageMaker endpoints.")
+                print_error("Use 'boltz2 ... health' to check SageMaker endpoint status.")
+                raise click.Abort()
+
             client = create_client(ctx)
             
             with Progress(
@@ -108,6 +113,8 @@ def metadata(ctx):
                 
                 console.print(table)
                 
+        except click.Abort:
+            raise
         except Exception as e:
             print_error(f"Failed to get metadata: {e}")
             raise click.Abort()

{boltz2_python_client-0.5.0 → boltz2_python_client-0.5.1/boltz2_python_client.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.2
 Name: boltz2-python-client
-Version: 0.5.0
+Version: 0.5.1
 Summary: Python client for Boltz-2 protein structure prediction API with covalent complex and multi-endpoint support
 Author-email: NVIDIA Corporation <bionemo-support@nvidia.com>
 Maintainer-email: NVIDIA Corporation <bionemo-support@nvidia.com>
@@ -167,18 +167,43 @@ client = Boltz2Client(
 ### AWS SageMaker Endpoint
 
 ```python
-client = Boltz2Client(
+from boltz2_client import Boltz2SyncClient
+
+# Requires: pip install "boltz2-python-client[sagemaker]"
+# AWS credentials must be configured (e.g. via AWS_ACCESS_KEY_ID/AWS_SECRET_ACCESS_KEY
+# environment variables, ~/.aws/credentials, or an IAM role)
+
+client = Boltz2SyncClient(
     endpoint_type="sagemaker",
     sagemaker_endpoint_name="my-boltz2-endpoint",
     sagemaker_region="us-east-1",
 )
-```
 
-Requires `pip install "boltz2-python-client[sagemaker]"` and AWS credentials.
+# Health check (calls describe_endpoint under the hood)
+health = client.health_check()
+print(f"Endpoint status: {health.status}")
+
+# Predict protein structure — same API as local/hosted endpoints
+result = client.predict_protein_structure(
+    sequence="MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG",
+    recycling_steps=3,
+    sampling_steps=200,
+)
+print(f"Confidence: {result.confidence_scores[0]:.3f}")
+
+# Protein-ligand with affinity prediction
+result = client.predict_protein_ligand_complex(
+    protein_sequence="MKTVRQERLK...",
+    ligand_smiles="CC(=O)OC1=CC=CC=C1C(=O)O",
+    predict_affinity=True,
+)
+```
 
 ```bash
-# CLI
+# CLI — all commands work with SageMaker by adding the endpoint flags
 boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint health
+boltz2 --endpoint-type sagemaker --sagemaker-endpoint-name my-boltz2-endpoint \
+    protein "MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG"
 ```
 
 ## Supported Prediction Types