diff --git a/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a-CUDA-12.6.0.eb b/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a-CUDA-12.6.0.eb
new file mode 100644
index 000000000000..b5ba4c6640bc
--- /dev/null
+++ b/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a-CUDA-12.6.0.eb
@@ -0,0 +1,95 @@
+easyblock = 'PythonBundle'
+
+name = 'Boltz-2'
+version = '2.2.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://github.com/jwohlwend/boltz'
+description = """
+Boltz-2 is a new biomolecular foundation model that goes beyond AlphaFold3 and Boltz-1
+by jointly modeling complex structures and binding affinities, a critical component towards accurate molecular design.
+"""
+
+toolchain = {'name': 'foss', 'version': '2024a'}
+
+builddependencies = [
+    ('hatchling', '1.27.0'),
+]
+dependencies = [
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('Python', '3.12.3'),
+    ('Python-bundle-PyPI', '2024.06'),
+    ('SciPy-bundle', '2024.05'),
+    ('Biopython', '1.84'),
+    ('PyYAML', '6.0.2'),
+    ('PyTorch', '2.7.1', '-CUDA-%(cudaver)s'),
+    ('Hydra', '1.3.2'),
+    ('PyTorch-Lightning', '2.5.6', '-CUDA-%(cudaver)s'),
+    ('RDKit', '2025.03.3'),
+    ('dm-tree', '0.1.9'),
+    ('einops', '0.8.1'),
+    ('gemmi', '0.7.1'),
+    ('numba', '0.60.0'),
+    ('scikit-learn', '1.6.1'),
+    ('wandb', '0.20.1'),
+]
+
+exts_list = [
+    ('urllib3', '2.0.7', {
+        'checksums': ['c97dfde1f7bd43a71c8d2a58e369e9b2bf692d1334ea9f9cae55add7d0dd0f84'],
+    }),
+    ('ihm', '1.7', {
+        'checksums': ['f7d3b9a76d9652f7091bbd1c6bea044a1d40b35bcba9b64c8e51a061fc2463de'],
+    }),
+    ('frozendict', '2.4.5', {
+        'checksums': ['fd7add309789595c044c0155a0bddfa9d20c77f65de1e33a14aa3033b936ef63'],
+    }),
+    ('types-requests', '2.32.0.20240914', {
+        'modulename': False,
+        'checksums': ['2850e178db3919d9bf809e434eef65ba49d0e7e33ac92d588f4a5e295fffd405'],
+    }),
+    ('einx', '0.3.0', {
+        'checksums': ['17ff87c6a0f68ab358c1da489f00e95f1de106fd12ff17d0fb3e210aaa1e5f8c'],
+    }),
+    ('fairscale', '0.4.13', {
+        'checksums': ['1b797825c427f5dba92253fd0d8daa574e8bd651a2423497775fab1b30cfb768'],
+    }),
+    ('mashumaro', '3.14', {
+        'checksums': ['5ef6f2b963892cbe9a4ceb3441dfbea37f8c3412523f25d42e9b3a7186555f1d'],
+    }),
+    ('modelcif', '1.2', {
+        'checksums': ['517d2a7be67c96fd56dcc3b50cf7bb0b130958c325653d9925f9a5dbfe151d78'],
+    }),
+    ('chembl-structure-pipeline', '1.2.4', {
+        'checksums': ['e381500ac815ded31cc4841d1fbfe7c089788a07f2fbaa9bb818b52facfa9030'],
+    }),
+    ('packaging', '25.0', {
+        'checksums': ['d443872c98d677bf60f6a1f2f8c1cb748e8fe762d2bf9d3148b5599295b0fc4f'],
+    }),
+    ('opt-einsum', '3.4.0', {
+        'modulename': 'opt_einsum',
+        'checksums': ['96ca72f1b886d148241348783498194c577fa30a8faac108586b14f1ba4473ac'],
+    }),
+    ('cuequivariance', '0.8.1', {
+        'checksums': ['f398dd0b61f80894994ef12a6ac7dd844e3d301a5486b99ff17d0082f1e22b4c'],
+    }),
+    ('cuequivariance-torch', '0.8.1', {
+        'checksums': ['03a924b7a4c57bed87ca3d0345218eb805d8d2e848f5f5c57192a2e4a8ebc3db'],
+    }),
+    ('cuequivariance-ops-torch-cu12', '0.8.1', {
+        'source_tmpl':
+            'cuequivariance_ops_torch_cu12-0.8.1-cp312-cp312-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl',
+        'checksums': ['839a262c6bb461684e7d929f5bf4b96c2fa58a5308e64c213ec7835fb1c3907e'],
+    }),
+    ('boltz', version, {
+        'checksums': ['dfbc5847a9d378a1e24829ff53c3faa182fb945775074712c130a3884710736d'],
+        'preinstallopts': 'sed -i -e \'s/==.*/\\",/g\' pyproject.toml && ',
+        'source_urls': ['https://github.com/jwohlwend/boltz/archive/refs/tags/'],
+        'source_tmpl': 'v%(version)s.tar.gz',
+        'runtest': 'export HOME=%(builddir)s && cd %(start_dir)s && pytest -svv tests/',
+        'testinstall': True}),
+]
+
+sanity_check_commands = ["boltz 2>&1 | grep 'Usage: boltz'"]
+
+moduleclass = 'bio'
diff --git a/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a.eb b/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a.eb
new file mode 100644
index 000000000000..9011c0647393
--- /dev/null
+++ b/easybuild/easyconfigs/b/Boltz-2/Boltz-2-2.2.1-foss-2024a.eb
@@ -0,0 +1,88 @@
+easyblock = 'PythonBundle'
+
+name = 'Boltz-2'
+version = '2.2.1'
+
+homepage = 'https://github.com/jwohlwend/boltz'
+description = """
+Boltz-2 is a new biomolecular foundation model that goes beyond AlphaFold3 and Boltz-1
+by jointly modeling complex structures and binding affinities, a critical component towards accurate molecular design.
+"""
+
+toolchain = {'name': 'foss', 'version': '2024a'}
+
+builddependencies = [
+    ('hatchling', '1.27.0'),
+]
+dependencies = [
+    ('Python', '3.12.3'),
+    ('Python-bundle-PyPI', '2024.06'),
+    ('SciPy-bundle', '2024.05'),
+    ('Biopython', '1.84'),
+    ('PyYAML', '6.0.2'),
+    ('PyTorch', '2.6.0'),
+    ('Hydra', '1.3.2'),
+    ('PyTorch-Lightning', '2.5.2'),
+    ('RDKit', '2025.03.3'),
+    ('dm-tree', '0.1.9'),
+    ('einops', '0.8.1'),
+    ('gemmi', '0.7.1'),
+    ('numba', '0.60.0'),
+    ('scikit-learn', '1.6.1'),
+    ('wandb', '0.20.1'),
+]
+
+exts_list = [
+    ('urllib3', '2.0.7', {
+        'checksums': ['c97dfde1f7bd43a71c8d2a58e369e9b2bf692d1334ea9f9cae55add7d0dd0f84'],
+    }),
+    ('ihm', '1.7', {
+        'checksums': ['f7d3b9a76d9652f7091bbd1c6bea044a1d40b35bcba9b64c8e51a061fc2463de'],
+    }),
+    ('frozendict', '2.4.5', {
+        'checksums': ['fd7add309789595c044c0155a0bddfa9d20c77f65de1e33a14aa3033b936ef63'],
+    }),
+    ('types-requests', '2.32.0.20240914', {
+        'modulename': False,
+        'checksums': ['2850e178db3919d9bf809e434eef65ba49d0e7e33ac92d588f4a5e295fffd405'],
+    }),
+    ('einx', '0.3.0', {
+        'checksums': ['17ff87c6a0f68ab358c1da489f00e95f1de106fd12ff17d0fb3e210aaa1e5f8c'],
+    }),
+    ('fairscale', '0.4.13', {
+        'checksums': ['1b797825c427f5dba92253fd0d8daa574e8bd651a2423497775fab1b30cfb768'],
+    }),
+    ('mashumaro', '3.14', {
+        'checksums': ['5ef6f2b963892cbe9a4ceb3441dfbea37f8c3412523f25d42e9b3a7186555f1d'],
+    }),
+    ('modelcif', '1.2', {
+        'checksums': ['517d2a7be67c96fd56dcc3b50cf7bb0b130958c325653d9925f9a5dbfe151d78'],
+    }),
+    ('chembl-structure-pipeline', '1.2.4', {
+        'checksums': ['e381500ac815ded31cc4841d1fbfe7c089788a07f2fbaa9bb818b52facfa9030'],
+    }),
+    ('packaging', '25.0', {
+        'checksums': ['d443872c98d677bf60f6a1f2f8c1cb748e8fe762d2bf9d3148b5599295b0fc4f'],
+    }),
+    ('opt-einsum', '3.4.0', {
+        'modulename': 'opt_einsum',
+        'checksums': ['96ca72f1b886d148241348783498194c577fa30a8faac108586b14f1ba4473ac'],
+    }),
+    ('cuequivariance', '0.8.1', {
+        'checksums': ['f398dd0b61f80894994ef12a6ac7dd844e3d301a5486b99ff17d0082f1e22b4c'],
+    }),
+    ('cuequivariance-torch', '0.8.1', {
+        'checksums': ['03a924b7a4c57bed87ca3d0345218eb805d8d2e848f5f5c57192a2e4a8ebc3db'],
+    }),
+    ('boltz', version, {
+        'checksums': ['dfbc5847a9d378a1e24829ff53c3faa182fb945775074712c130a3884710736d'],
+        'preinstallopts': 'sed -i -e \'s/==.*/\\",/g\' pyproject.toml && ',
+        'source_urls': ['https://github.com/jwohlwend/boltz/archive/refs/tags/'],
+        'source_tmpl': 'v%(version)s.tar.gz',
+        'runtest': 'export HOME=%(builddir)s && cd %(start_dir)s && pytest -svv tests/',
+        'testinstall': True}),
+]
+
+sanity_check_commands = ["boltz 2>&1 | grep 'Usage: boltz'"]
+
+moduleclass = 'bio'