diff --git a/easybuild/easyconfigs/t/torch-dftd/torch-dftd-0.5.1-foss-2024a-CUDA-12.6.0.eb b/easybuild/easyconfigs/t/torch-dftd/torch-dftd-0.5.1-foss-2024a-CUDA-12.6.0.eb
new file mode 100644
index 000000000000..29eb6d33dae5
--- /dev/null
+++ b/easybuild/easyconfigs/t/torch-dftd/torch-dftd-0.5.1-foss-2024a-CUDA-12.6.0.eb
@@ -0,0 +1,30 @@
+easyblock = 'PythonBundle'
+
+name = 'torch-dftd'
+version = '0.5.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://pypi.org/project/torch-dftd'
+description = """
+pytorch implementation of dftd2 & dftd3
+"""
+
+toolchain = {'name': 'foss', 'version': '2024a'}
+
+dependencies = [
+    ('Python', '3.12.3'),
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('PyTorch', '2.6.0', versionsuffix),
+    ('ASE', '3.23.0'),
+    ('pymatgen', '2025.6.14'),
+]
+
+
+exts_list = [
+    (name, version, {
+        'source_tmpl': 'torch_dftd-%(version)s-py3-none-any.whl',
+        'checksums': ['4ab2333132a3502568106b338988ad5a88fb7328a5c1a0f87eaebc50b7cc337e'],
+    }),
+]
+
+moduleclass = 'ai'