diff --git a/.devcontainer/Dockerfile b/.devcontainer/Dockerfile
deleted file mode 100644
index abdbf7fc..00000000
--- a/.devcontainer/Dockerfile
+++ /dev/null
@@ -1,64 +0,0 @@
-FROM mambaorg/micromamba:focal
-
-# Take root for the system-wide setup
-USER root
-
-# Install system-wide packages with `apt`
-RUN export DEBIAN_FRONTEND=noninteractive && apt update --fix-missing && \
-    apt install --no-install-recommends -y \
-    ca-certificates \
-    moreutils \
-    bash-completion \
-    less \
-    watch \
-    git \
-    patch \
-    git-lfs \
-    nano \
-    jq \
-    gnupg2 \
-    openssh-client \
-    file \
-    htop \
-    zip \
-    unzip \
-    p7zip-full \
-    curl \
-    wget \
-    lsof \
-    iputils-ping \
-    iproute2 \
-    net-tools \
-    dnsutils \
-    socat \
-    telnet \
-    && apt clean && rm -rf /var/lib/apt/lists/*
-
-# Install bash completions
-RUN : \
-    && mkdir -p /etc/bash_completion.d \
-    && sh -c "curl -L https://raw.githubusercontent.com/docker/compose/1.29.2/contrib/completion/bash/docker-compose > /etc/bash_completion.d/docker-compose" \
-    && sh -c "curl -L https://raw.githubusercontent.com/docker/cli/v20.10.13/contrib/completion/bash/docker > /etc/bash_completion.d/docker" \
-    && sh -c "curl -L https://raw.githubusercontent.com/git/git/v2.35.1/contrib/completion/git-completion.bash > /etc/bash_completion.d/git" \
-    ;
-
-# Go back to regular user
-USER $MAMBA_USER
-
-# Copy env.yml file
-COPY --chown=$MAMBA_USER:$MAMBA_USER env.yml /tmp/env.yml
-
-# NOTE(hadim): see `build.args` in `devcontainer.json` to get `***_VERSION` variables
-# in order to customize the installation of some deps such as python and rdkit.
-
-# Install the mamba env
-RUN micromamba install -y -n base -f /tmp/env.yml && \
-    micromamba clean --all --yes
-
-# Activate mamba for other below commands
-ARG MAMBA_DOCKERFILE_ACTIVATE=1
-
-# Install git prompt
-# NOTE(hadim): likely a bit hacky
-COPY --chown=$MAMBA_USER:$MAMBA_USER .devcontainer/bashrc /tmp/bashrc
-RUN cat /tmp/bashrc >> ~/.bashrc
diff --git a/.devcontainer/bashrc b/.devcontainer/bashrc
deleted file mode 100644
index 730f632a..00000000
--- a/.devcontainer/bashrc
+++ /dev/null
@@ -1,11 +0,0 @@
-source /usr/lib/git-core/git-sh-prompt
-
-# Bash prompt
-GIT_PS1_SHOWUNTRACKEDFILES=1
-GIT_PS1_SHOWDIRTYSTATE=1
-if [ $(whoami) = root ]; then
-    SYMBOL="#"
-else
-    SYMBOL="$"
-fi
-PS1='\[\033[01;32m\]\u\[\033[0m\] \[\033[1;34m\]\h \[\033[1;35m\]\W\[\033[1;31m\]$(__git_ps1 " (%s)") \[\033[0m\]$SYMBOL '
diff --git a/.devcontainer/devcontainer.json b/.devcontainer/devcontainer.json
deleted file mode 100644
index 16e8b5e6..00000000
--- a/.devcontainer/devcontainer.json
+++ /dev/null
@@ -1,39 +0,0 @@
-{
-    "name": "Micromamba for Datamol",
-    "build": {
-        "context": "..",
-        "dockerfile": "Dockerfile",
-        "args": {
-            // NOTE(hadim): allow to customize python, rdkit, etc version here.
-            // "PYTHON_VERSION": "3.9"
-        }
-    },
-    // Configure tool-specific properties.
-    "customizations": {
-        // Configure properties specific to VS Code.
-        "vscode": {
-            // Set *default* container specific settings.json values on container create.
-            "settings": {
-                "python.defaultInterpreterPath": "/opt/conda/bin/python",
-                "python.formatting.provider": "black",
-                "python.formatting.blackPath": "/opt/conda/bin/black",
-                "python.linting.enabled": true,
-                "python.condaPath": "/opt/conda/bin/conda",
-                "python.terminal.activateEnvInCurrentTerminal": false
-            },
-            // Add the IDs of extensions you want installed when the container is created.
-            "extensions": [
-                "ms-python.python",
-                "ms-python.vscode-pylance",
-                "ms-azuretools.vscode-docker"
-            ]
-        }
-    },
-    // Use 'forwardPorts' to make a list of ports inside the container available locally.
-    // "forwardPorts": [],
-    // Use 'postCreateCommand' to run commands after the container is created.
-    "postCreateCommand": "pip install -e .",
-    // Comment out to connect as root instead. More info: https://aka.ms/vscode-remote/containers/non-root.
-    "remoteUser": "mambauser",
-    "features": {}
-}