bump version

CHANGELOG.md

@@ -4,11 +4,13 @@ All notable changes to this project will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
-## [Unreleased]
+## [0.0.5] - 2021/04/08
 ### Added
-- New `transform` parameter that accepts a dictionnary of field-function items where each
+- New `transform` parameter that accepts a dictionary of field-function items where each
   function transforms the input value that will be displayed. Fixes: Issue #10
 ### Fixed
+- Running mols2grid could throw an ImportError (instead of ModuleNotFoundError) if the
+  `google` module was installed, but not `google.colab`. Solved by PR #11
 - Private molecule properties (i.e properties starting with `_`) were not registered when
   reading properties from RDKit molecules (SDF or list of mols).
 
@@ -23,23 +25,23 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ## [0.0.3] - 2021/03/31
 ### Added
-- **SMARTS search**: the "🔎" button now lets users choose between a text search or a SMARTS
-  search. This relies on RDKit's "MinimalLib" JS wrapper which is still in beta, and will
-  likely break at some point. Use at your own risk!
-- **Sorting**: added a "Sort by" button that lets users choose in which order the molecules
-  should be listed. Default: by index. Fixes: Issue #7
-- `MolDrawOptions` **drawing** parameter: this will allow further customization of the drawing
-  options.
-- **Selection**: added checkboxes to each cell. Clicking on a checkbox will add the molecule's
-  corresponding index and SMILES to the `mols2grid.selection` dictionnary.
+- **SMARTS search**: the "🔎" button now lets users choose between a text search or a
+  SMARTS search. This relies on RDKit's "MinimalLib" JS wrapper which is still in beta,
+  and will likely break at some point. Use at your own risk!
+- **Sorting**: added a "Sort by" button that lets users choose in which order the
+  molecules should be listed. Default: by index. Fixes: Issue #7
+- `MolDrawOptions` **drawing** parameter: this will allow further customization of the
+  drawing options.
+- **Selection**: added checkboxes to each cell. Clicking on a checkbox will add the
+  molecule's corresponding index and SMILES to the `mols2grid.selection` dictionary.
 - New **input** formats: dict and record (list of dicts) are automatically converted to a
   pandas DataFrame when used as input to the MolGrid class. The `mols2grid.display`
   function only accepts the dict option (since the list format is already used for lists
   of RDKit molecules).
-- New **input** options: `mol_col` parameter. Adds the ability to directly use an RDKit mol
-  instead of relying on a SMILES intermediate. This makes using the 2D coordinates of the
-  input mol a possibility, instead of systematically generating new ones. It also allows
-  for adding annotations and highlights on drawings. Introduces 2 new parameters:
+- New **input** options: `mol_col` parameter. Adds the ability to directly use an RDKit
+  mol instead of relying on a SMILES intermediate. This makes using the 2D coordinates of
+  the input mol a possibility, instead of systematically generating new ones. It also
+  allows for adding annotations and highlights on drawings. Introduces 2 new parameters:
   - `mol_col=None`: Column of the dataframe containing RDKit molecules
   - `use_coords=True`: directly use the coordinates from each molecule, or generate new
     ones

README.md

@@ -21,7 +21,7 @@ conda install -c conda-forge 'rdkit>=2019.09.1'
 pip install mols2grid
 ```
 
-It is compatible with Jupyter Notebook and Google Colab (Visual Studio notebooks and Jupyterlab are not supported).
+It is compatible with Jupyter Notebook and Google Colab (Visual Studio notebooks and Jupyterlab are not supported) and can run on Streamlit.
 
 ## 📜 Usage
 ---

mols2grid/_version.py

@@ -1 +1 @@
-__version__ = "0.0.4"
+__version__ = "0.0.5"