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Deploy Prometheus monitoring system
This repository has been archived
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Created
2017-11-27
607 commits to master branch, last one about a year ago
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
Created
2022-04-25
1,516 commits to main branch, last one 3 days ago
Working with molecular structures in pandas DataFrames
Created
2015-11-21
355 commits to main branch, last one 8 months ago
Python package for graph neural networks in chemistry and biology
Created
2020-04-23
236 commits to master branch, last one about a year ago
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Created
2016-07-01
2,957 commits to master branch, last one 6 months ago
Provision basic metrics exporter for prometheus monitoring tool
This repository has been archived
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Created
2017-11-27
368 commits to master branch, last one about a year ago
Platform for analytics and monitoring
This repository has been archived
(exclude archived)
Created
2017-11-27
394 commits to master branch, last one about a year ago
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Created
2013-04-24
287 commits to master branch, last one 4 months ago
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
Created
2021-12-10
94 commits to main branch, last one 11 months ago
Molecular Processing Made Easy.
Created
2021-02-23
1,453 commits to main branch, last one 3 months ago
vscode/vscodium extension for providing Ansible auto-completion and integrating quality assurance tools like ansible-lint, ansible syntax check, yamllint, molecule and ansible-test.
Created
2020-12-29
1,365 commits to main branch, last one a day ago
Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
Created
2022-02-12
7 commits to main branch, last one about a year ago
Worship your favorite molecule by setting it as your wallpaper.
Created
2017-08-05
154 commits to master branch, last one 3 years ago
Docker Engine clustering using "Swarm Mode" and Ansible
Created
2016-07-04
79 commits to master branch, last one 4 years ago
A Javascript cheminformatics toolkit.
Created
2015-02-01
2,533 commits to master branch, last one 20 days ago
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
Created
2021-11-03
10 commits to master branch, last one about a year ago
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
Created
2023-04-12
209 commits to main branch, last one 27 days ago
Prepare your system to be managed by Ansible.
Created
2017-11-01
1,017 commits to master branch, last one 2 days ago
[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
Created
2022-10-04
19 commits to main branch, last one about a year ago
MoleculeKit: Your favorite molecule manipulation kit
Created
2019-03-28
874 commits to main branch, last one 22 days ago
Graph-based molecule modeling toolkit for cheminformatics
Created
2018-10-01
452 commits to master branch, last one about a month ago
Geometric Latent Diffusion Models for 3D Molecule Generation
Created
2023-02-27
3 commits to main branch, last one 11 months ago
Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
Created
2021-10-06
10 commits to main branch, last one about a year ago
Scientific Large Language Models: A Survey on Biological & Chemical Domains
Created
2023-10-12
18 commits to main branch, last one about a month ago
Deploy Prometheus Alertmanager service
This repository has been archived
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Created
2017-11-27
301 commits to master branch, last one about a year ago
Installing and configuring Telegraf via Ansible for RedHat/Debian/Ubuntu/Windows/Suse.
Created
2015-09-20
376 commits to master branch, last one 3 months ago
LLM for Drug Editing, ICLR 2024
Created
2023-05-18
27 commits to main branch, last one 3 days ago
Python module for drawing and rendering beautiful atoms and molecules using Blender.
Created
2021-10-15
927 commits to main branch, last one 21 days ago
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Created
2021-05-18
1,021 commits to master branch, last one 6 months ago
Robust Molecular Structure Recognition with Image-to-Graph Generation
Created
2022-11-10
182 commits to main branch, last one 2 months ago