sail.black

carate

Carate is a chemical and pharmaceutical auto encoder based graph neural networks (GNN). The architecture mimics transformer models.

Updated 2024-06-28 18:12:31 +00:00

total-twofactor

Shell 0 0

Updated 2023-09-16 15:51:38 +00:00

serial-sphinx Template

Python 1 0

A repository drafting a template on how to setup a proper python package to be ready for publishing on readthedocs.org using sphinx.

Updated 2023-04-04 18:40:55 +00:00

governance

0 0

A repository on how we run the company and what software we use, what projects we need to focus on.

Updated 2023-04-02 15:03:40 +00:00

pytorch_sparse_carate

Python 0 0

Migrate pytorch_sparse for carate compatibility.

Updated 2023-03-25 20:18:45 +00:00

pytorch_scatter_carate

Python 0 0

Fork of pytorch-scatter to enable installability of carate.

pytorch gather segment scatter

Updated 2023-03-25 20:16:14 +00:00

acheeve

Python 0 0

Repository coordinating chembees

Updated 2023-02-15 18:03:41 +00:00

veritas-archive

JavaScript 0 0

The first and last open-source, decentralized and entirely open archive of raw scientific data.

Updated 2023-01-24 09:33:02 +00:00

dylightful

Promela 0 0

Software package to analyze eigenstates of supra molecular complexes using deep learning.

Updated 2022-10-31 15:13:27 +00:00

chembee

Jupyter Notebook 0 0

A software package for rapid prototyping of data-centric software flows to derive machine learning and AI models, especially for chemical use cases. The software is data-centric. The abstraction of the objects in implemented in acheeve

Updated 2022-10-05 20:18:01 +00:00

openmd

Jupyter Notebook 0 0

Project on force fields in MD simulations

algorithms md simluation rapid prototyping

Updated 2022-09-03 20:19:39 +00:00

radiant-rdkit

Python 0 0

Publication quality RDKit plots

Updated 2022-08-03 15:17:39 +00:00

landing-front Archived

JavaScript 0 0

Front end of the website of sail.black

Updated 2022-06-06 08:35:00 +00:00

landing-api Archived

Python 0 0

Backend of the sail.black website

Updated 2022-06-02 10:45:55 +00:00

flask-analytics Archived

Python 0 0

Security software to analyze flask APIs.

Updated 2022-05-27 13:55:12 +00:00