diff --git a/README.md b/README.md index bc5a1aea4..6f120a0b8 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,5 @@
- +

Scaling molecular GNNs to infinity

@@ -91,7 +91,7 @@ Integrating `hydra` also allows you to quickly switch between accelerators. E.g. graphium-train dataset=toymix model=gcn accelerator=gpu ``` automatically selects the correct configs to run the experiment on GPU. -Finally, you can also run a fine-tuning loop: +Finally, you can also run a fine-tuning loop: ```bash graphium-train +finetuning=admet ``` diff --git a/docs/_assets/css/custom-graphium.css b/docs/_assets/css/custom-graphium.css index 661f6db98..65ae250e8 100644 --- a/docs/_assets/css/custom-graphium.css +++ b/docs/_assets/css/custom-graphium.css @@ -1,5 +1,5 @@ :root { - --graphium-primary: #70ad47; + --graphium-primary: #548235; --graphium-secondary: #343a40; /* Primary color shades */ @@ -31,11 +31,11 @@ } .md-header { - background-color: #70ad47; + background-image: linear-gradient(to right, #548235, #8DB771); } .md-footer { - background-color: #70ad47; + background-image: linear-gradient(to right, #548235, #8DB771); } .md-tabs { diff --git a/docs/api/graphium.finetuning.md b/docs/api/graphium.finetuning.md index 8b50de87a..7e2b7f444 100644 --- a/docs/api/graphium.finetuning.md +++ b/docs/api/graphium.finetuning.md @@ -1,8 +1,13 @@ +graphium.finetuning +==================== +Module for finetuning models and doing linear probing (fingerprinting). + +::: graphium.finetuning.finetuning.GraphFinetuning + +::: graphium.finetuning.finetuning_architecture.FullGraphFinetuningNetwork + +::: graphium.finetuning.finetuning_architecture.PretrainedModel + +::: graphium.finetuning.finetuning_architecture.FinetuningHead + ::: graphium.finetuning.fingerprinting.Fingerprinter - options: - filters: ["!^_"] - separate_signature: true - show_signature_annotations: true - line_length: 80 - merge_init_into_class: true - members_order: source \ No newline at end of file diff --git a/docs/images/banner-tight.png b/docs/images/banner-tight.png new file mode 100644 index 000000000..026272be7 Binary files /dev/null and b/docs/images/banner-tight.png differ diff --git a/docs/images/banner-tight.svg b/docs/images/banner-tight.svg new file mode 100644 index 000000000..8850cdb79 --- /dev/null +++ b/docs/images/banner-tight.svg @@ -0,0 +1 @@ +graphium∞graphiumG \ No newline at end of file diff --git a/docs/images/banner.png b/docs/images/banner.png new file mode 100644 index 000000000..b85ecfc0b Binary files /dev/null and b/docs/images/banner.png differ diff --git a/docs/images/banner.svg b/docs/images/banner.svg new file mode 100644 index 000000000..3dd6f60cd --- /dev/null +++ b/docs/images/banner.svg @@ -0,0 +1 @@ +graphium∞Ggraphium \ No newline at end of file diff --git a/docs/images/logo-large-green.png b/docs/images/logo-large-green.png new file mode 100644 index 000000000..8cadb6a86 Binary files /dev/null and b/docs/images/logo-large-green.png differ diff --git a/docs/images/logo-large-green.svg b/docs/images/logo-large-green.svg new file mode 100644 index 000000000..1e721fccf --- /dev/null +++ b/docs/images/logo-large-green.svg @@ -0,0 +1 @@ +graphiumG \ No newline at end of file diff --git a/docs/images/logo-mini-dark.png b/docs/images/logo-mini-dark.png new file mode 100644 index 000000000..b3e6d87bc Binary files /dev/null and b/docs/images/logo-mini-dark.png differ diff --git a/docs/images/logo-mini-dark.svg b/docs/images/logo-mini-dark.svg new file mode 100644 index 000000000..918271cd1 --- /dev/null +++ b/docs/images/logo-mini-dark.svg @@ -0,0 +1,49 @@ + +G diff --git a/docs/images/logo-mini-green.png b/docs/images/logo-mini-green.png new file mode 100644 index 000000000..fab39a1bf Binary files /dev/null and b/docs/images/logo-mini-green.png differ diff --git a/docs/images/logo-mini-green.svg b/docs/images/logo-mini-green.svg new file mode 100644 index 000000000..6daa213e1 --- /dev/null +++ b/docs/images/logo-mini-green.svg @@ -0,0 +1,64 @@ + +G diff --git a/docs/images/logo-mini-white.png b/docs/images/logo-mini-white.png new file mode 100644 index 000000000..955339b7c Binary files /dev/null and b/docs/images/logo-mini-white.png differ diff --git a/docs/images/logo-mini-white.svg b/docs/images/logo-mini-white.svg new file mode 100644 index 000000000..2751b7709 --- /dev/null +++ b/docs/images/logo-mini-white.svg @@ -0,0 +1,51 @@ + +G diff --git a/docs/images/logo.png b/docs/images/logo.png deleted file mode 100644 index 2098d396f..000000000 Binary files a/docs/images/logo.png and /dev/null differ diff --git a/docs/images/logo.svg b/docs/images/logo.svg deleted file mode 100644 index e28905773..000000000 --- a/docs/images/logo.svg +++ /dev/null @@ -1,134 +0,0 @@ - -GrGraphium∞∞ diff --git a/mkdocs.yml b/mkdocs.yml index 77fa93721..83798ec71 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -41,9 +41,9 @@ nav: - Design: design.md - Datasets: datasets.md - Pretrained Models: pretrained_models.md - - CLI: + - CLI: - About: cli/reference.md - - Commands: + - Commands: - graphium: cli/graphium.md - graphium-train: cli/graphium-train.md - Contribute: contribute.md @@ -56,8 +56,8 @@ theme: features: - navigation.tabs - navigation.expand - favicon: images/logo.png - logo: images/logo.svg + favicon: images/logo-mini-dark.png + logo: images/logo-mini-white.svg extra_css: - _assets/css/custom.css