docs: unify quick-start examples and fix stale strings

README.md

@@ -20,9 +20,10 @@ files or shard directories.
 ## Installation
 
 ```bash
-pip install atompack
+pip install atompack-db
 ```
 
+The package is imported as `atompack` after installation.
 Hugging Face support ships in the base package.
 
 ### Install from source
@@ -102,8 +103,6 @@ strong batch-write throughput, and storage efficiency that stays close to compac
 formats.
 
 For the benchmark narrative and current figures, see the
-[release blog post](https://entalpic-atompack.readthedocs-hosted.com/en/latest/blog/atompack-release.html)
-and
 [performance docs](https://entalpic-atompack.readthedocs-hosted.com/en/latest/performance.html).
 
 ## Documentation

atompack-py/README.md

@@ -23,11 +23,11 @@ import numpy as np
 
 positions = np.array([[0.0, 0.0, 0.0], [1.0, 0.0, 0.0]], dtype=np.float32)
 atomic_numbers = np.array([6, 8], dtype=np.uint8)
-mol = atompack.Molecule(positions, atomic_numbers)
+mol = atompack.Molecule.from_arrays(positions, atomic_numbers)
 mol.energy = -123.456
 mol.forces = np.array([[0.1, 0.2, 0.3], [0.4, 0.5, 0.6]], dtype=np.float32)
 
-db = atompack.Database("data.atp")
+db = atompack.Database("data.atp", overwrite=True)
 db.add_molecule(mol)
 db.flush()
 ```

atompack-py/python/atompack/__init__.py

@@ -16,13 +16,13 @@
 >>>
 >>> positions = np.array([[0.0, 0.0, 0.0], [1.0, 0.0, 0.0]], dtype=np.float32)
 >>> atomic_numbers = np.array([6, 8], dtype=np.uint8)
->>> mol = atompack.Molecule(positions, atomic_numbers)
+>>> mol = atompack.Molecule.from_arrays(positions, atomic_numbers)
 >>> mol.energy = -123.456
 >>> mol.forces = np.array([[0.1, 0.2, 0.3], [0.4, 0.5, 0.6]], dtype=np.float32)
 
 Save to database:
 
->>> db = atompack.Database("data.atp")
+>>> db = atompack.Database("data.atp", overwrite=True)
 >>> db.add_molecule(mol)
 >>> db.flush()
 

atompack-py/python/atompack/__init__.pyi

@@ -107,7 +107,7 @@ class Molecule:
     >>> import numpy as np
     >>> positions = np.array([[0.0, 0.0, 0.0], [1.0, 0.0, 0.0]], dtype=np.float32)
     >>> atomic_numbers = np.array([6, 8], dtype=np.uint8)
-    >>> mol = Molecule(positions, atomic_numbers)
+    >>> mol = Molecule.from_arrays(positions, atomic_numbers)
     >>> mol.energy = -100.5
     >>> mol.forces = np.array([[0.1, 0.2, 0.3], [0.4, 0.5, 0.6]], dtype=np.float32)
     >>> print(len(mol))  # 2
@@ -433,7 +433,7 @@ class Database:
     --------
     Create and write molecules:
 
-    >>> db = Database("molecules.atp")
+    >>> db = Database("molecules.atp", overwrite=True)
     >>> db.add_molecule(mol1)
     >>> db.add_molecule(mol2)
     >>> db.flush()

atompack-py/src/lib.rs

@@ -4,7 +4,7 @@
 //! This module exposes the atompack library to Python using PyO3.
 
 #![allow(clippy::useless_conversion)]
-// PyO3 0.22 macro-generated code triggers this lint; safe to suppress until PyO3 upgrade.
+// PyO3 0.26 macro-generated code triggers this lint; safe to suppress.
 #![allow(unsafe_op_in_unsafe_fn)]
 
 use atompack::{

docs/source/conf.py

@@ -11,7 +11,7 @@
 copyright = "2026, Entalpic"
 author = "Ali Ramlaoui and contributors"  # Contributors to the package
 release = (
-    "0.2.0"  # Current version of the package, can be retrieved programmatically too.
+    "0.2.1"  # Current version of the package, can be retrieved programmatically too.
 )
 
 # -- General configuration ---------------------------------------------------