Topic: molecule Goto Github
Some thing interesting about molecule
Some thing interesting about molecule
molecule,Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
User: aamini
molecule,MoleculeKit: Your favorite molecule manipulation kit
Organization: acellera
molecule,A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
User: aksub99
molecule,๐ง Moved to molecule-plugins
Organization: ansible-community
Home Page: https://github.com/ansible-community/molecule-plugins
molecule,vscode/vscodium extension for providing Ansible auto-completion and integrating quality assurance tools like ansible-lint, ansible syntax check, yamllint, molecule and ansible-test.
Organization: ansible
Home Page: https://ansible.readthedocs.io/projects/vscode-ansible/
molecule,Docker Engine clustering using "Swarm Mode" and Ansible
User: atosatto
Home Page: https://galaxy.ansible.com/atosatto/docker-swarm/
molecule,3D molecular visualization React component using 3Dmol.js
Organization: autodesk
Home Page: http://moldesign.bionano.autodesk.com/
molecule,๐งช๐ ๐. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.
Organization: awesome-panel
molecule,Python package for graph neural networks in chemistry and biology
Organization: awslabs
molecule,Python module for drawing and rendering beautiful atoms and molecules using Blender.
Organization: beautiful-atoms
Home Page: https://beautiful-atoms.readthedocs.io/en/latest/
molecule,Working with molecular structures in pandas DataFrames
Organization: biopandas
Home Page: https://BioPandas.github.io/biopandas/
molecule,Toolbox for molecular animations in Blender, powered by Geometry Nodes.
User: bradyajohnston
Home Page: https://bradyajohnston.github.io/MolecularNodes/
molecule,Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
User: calebbell
molecule,LLM for Drug Editing, ICLR 2024
User: chao1224
Home Page: https://chao1224.github.io/ChatDrug
molecule,Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
User: chao1224
Home Page: https://chao1224.github.io/GraphMVP
molecule,Deploy Prometheus Alertmanager service
Organization: cloudalchemy
molecule,Blackbox prober exporter
Organization: cloudalchemy
molecule,Platform for analytics and monitoring
Organization: cloudalchemy
molecule,Provision basic metrics exporter for prometheus monitoring tool
Organization: cloudalchemy
molecule,Deploy Prometheus monitoring system
Organization: cloudalchemy
molecule,Molecular Processing Made Easy.
Organization: datamol-io
Home Page: https://docs.datamol.io
molecule,Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
Organization: deepgraphlearning
Home Page: https://arxiv.org/abs/2306.01794
molecule,Ubuntu 22.04 LTS (Jammy Jellyfish) Docker container for Ansible playbook and role testing.
User: geerlingguy
Home Page: https://hub.docker.com/r/geerlingguy/docker-ubuntu2204-ansible
molecule,This is an example from the Ansible 101 livestream
User: geerlingguy
Home Page: https://www.jeffgeerling.com/blog/2020/ansible-101-jeff-geerling-youtube-streaming-series
molecule,Collection of data sets of molecules for a validation of properties inference
User: glambard
molecule,grafana.grafana Ansible collection provides modules and roles for managing various resources on Grafana Cloud and roles to manage and deploy Grafana Agent and Grafana
Organization: grafana
molecule,Scientific Large Language Models: A Survey on Biological & Chemical Domains
Organization: hicai-zju
Home Page: http://scimind.ai/resource
molecule,Example project showing how to test Ansible roles with Molecule using Testinfra and a multiscenario approach with Docker, Vagrant & AWS EC2 as infrastructure providers
User: jonashackt
Home Page: https://blog.codecentric.de/en/2018/12/test-driven-infrastructure-ansible-molecule/
molecule,[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
User: junxia97
molecule,An interactive structure/property explorer for materials and molecules
Organization: lab-cosmo
Home Page: http://chemiscope.org
molecule,Worship your favorite molecule by setting it as your wallpaper.
User: lambdacasserole
Home Page: https://avogadr.io/
molecule,[ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
User: lsj2408
Home Page: https://arxiv.org/abs/2210.01765
molecule,Create, Simulate, Visualize, and Analyze Realistic 3D Cell Models
Organization: mcellteam
Home Page: http://mcell.org/tutorials/index.html
molecule,Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).
User: minkaixu
molecule,Geometric Latent Diffusion Models for 3D Molecule Generation
User: minkaixu
molecule,Graph-based molecule modeling toolkit for cheminformatics
User: mojaie
molecule,VSCode Extension for interactively visualising protein structure data in the editor
Organization: molstar
molecule,A Javascript cheminformatics toolkit.
User: partridgejiang
Home Page: http://partridgejiang.github.io/Kekule.js
molecule,A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
Organization: rdkit
Home Page: https://rdkitjs.com
molecule,Prepare your system to be managed by Ansible.
User: robertdebock
Home Page: https://robertdebock.nl/
molecule,Ansible role for installing and configuring Apache Kafka on RedHat and Debian platforms.
User: sleighzy
molecule,Ansible role for installing and configuring Apache ZooKeeper
User: sleighzy
molecule,Robust Molecular Structure Recognition with Image-to-Graph Generation
User: thomas0809
molecule,Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
User: yuyangw
molecule,[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
Organization: zjunlp
molecule,[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Organization: zjunlp
Home Page: https://huggingface.co/spaces/zjunlp/MolGen
molecule,Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
User: zotko
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