diff --git a/glicid-non-free/packages/chemistry.scm b/glicid-non-free/packages/chemistry.scm
new file mode 100644
index 0000000..256b465
--- /dev/null
+++ b/glicid-non-free/packages/chemistry.scm
@@ -0,0 +1,77 @@
+(define-module (glicid-nonfree packages chemistry)
+  #:use-module (guix packages)
+  #:use-module (guix download)
+#:use-module (guix gexp)
+#:use-module (guix utils)
+#:use-module (guix build-system cmake)
+#:use-module ((guix licenses) #:prefix license:)
+#:use-module (gnu packages)
+#:use-module (gnu packages algebra)
+#:use-module (gnu packages mpi)
+#:use-module (gnu packages maths)
+#:use-module (gnu packages perl)
+#:use-module (gnu packages xml)
+#:use-module (gnu packages chemistry)
+#:use-module (gnu packages documentation)
+#:use-module (gnu packages graphviz)
+#:use-module (gnu packages pkg-config)
+#:use-module (gnu packages python)
+#:use-module (gnu packages python-xyz)
+#:use-module (gnu packages sphinx)
+#:use-module (gnu packages check)
+#:use-module (gnu packages gcc)
+#:use-module (non-free cuda)
+)
+
+(define-public gromacs+cuda
+  (package
+    (inherit gromacs)
+    (name "gromacs+cuda")
+    (arguments
+     (list #:configure-flags
+           #~(list "-DGMX_DEVELOPER_BUILD=on"     ; Needed to run tests
+                   ;; Unbundling
+                   "-DGMX_USE_LMFIT=EXTERNAL"
+                   "-DGMX_BUILD_OWN_FFTW=off"
+                   "-DGMX_EXTERNAL_BLAS=on"
+                   "-DGMX_EXTERNAL_LAPACK=on"
+                   "-DGMX_EXTERNAL_TNG=on"
+                   "-DGMX_EXTERNAL_ZLIB=on"
+                   "-DGMX_GPU=CUDA"
+                   (string-append "-DCUDA_TOOLKIT_ROOT_DIR=" #$(this-package-input "cuda-toolkit"))
+                   "-DGMX_EXTERNAL_TINYXML2=on"
+                   (string-append "-DTinyXML2_DIR="
+                                  #$(this-package-input "tinyxml2"))
+                   ;; Workaround for cmake/FindSphinx.cmake version parsing that does
+                   ;; not understand the guix-wrapped `sphinx-build --version' answer
+                   (string-append "-DSPHINX_EXECUTABLE_VERSION="
+                                  #$(package-version python-sphinx)))
+ #:phases
+           #~(modify-phases %standard-phases
+               (add-after 'unpack 'fixes
+                 (lambda* (#:key inputs #:allow-other-keys)
+                   ;; Still bundled: part of gromacs, source behind registration
+                   ;; but free software anyways
+                   ;;(delete-file-recursively "src/external/vmd_molfile")
+                   ;; Still bundled: threads-based OpenMPI-compatible fallback
+                   ;; designed to be bundled like that
+                   ;;(delete-file-recursively "src/external/thread_mpi")
+                   ;; Unbundling
+                   (delete-file-recursively "src/external/lmfit")
+                   (delete-file-recursively "src/external/clFFT")
+                   (delete-file-recursively "src/external/fftpack")
+                   (delete-file-recursively "src/external/build-fftw")
+                   (delete-file-recursively "src/external/tng_io")
+                   (delete-file-recursively "src/external/tinyxml2")
+                   (delete-file-recursively "src/external/googletest")
+                   (copy-recursively #$(package-source googletest)
+                                     "src/external/googletest")
+                   ;; This test warns about the build host hardware, disable
+                   (substitute* "src/gromacs/hardware/tests/hardwaretopology.cpp"
+                     (("TEST\\(HardwareTopologyTest, HwlocExecute\\)")
+                      "void __guix_disabled()")))))))
+
+    (propagated-inputs
+         (modify-inputs (package-propagated-inputs gromacs)
+              (append cuda hwloc))))
+)