Molecular Explanation Generator
☆17Jan 26, 2022Updated 4 years ago
Alternatives and similar repositories for meg
Users that are interested in meg are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 4 months ago
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Dec 3, 2024Updated last year
- Interpretable Control Exploration and Counterfactual Explanation (ICE) on StyleGAN☆16Jan 5, 2022Updated 4 years ago
- PARCE version 1.0☆12Feb 1, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- some tools for working with protein (PDB) files in tensorflow☆11Jul 9, 2019Updated 7 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- graph learning code for ogb☆24Jul 21, 2021Updated 5 years ago
- Generating global explanations from local ones☆11Nov 11, 2022Updated 3 years ago
- Quick and dirty protonation☆18Jun 15, 2022Updated 4 years ago
- DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations☆32Aug 13, 2026Updated 2 weeks ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- ☆24Jul 25, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design☆22Sep 20, 2020Updated 5 years ago
- A pytorch-based implementation of Dirichlet Process Mixture Model (DPMM)☆13Apr 20, 2026Updated 4 months ago
- Resources for the Semeval 2016 Task 3 Community Question Answering. Contains word embeddings and system description results☆10Jan 13, 2017Updated 9 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- N-Dimensional MD engine with symmetry group constraints written in C☆49Jul 24, 2024Updated 2 years ago
- ☆27Feb 10, 2024Updated 2 years ago
- ☆20Nov 12, 2024Updated last year
- Implementation of the BNPool layer and code to reproduce the experiments in "Bayesian Nonparametric GNNs for graph pooling and clustering…☆15Apr 1, 2026Updated 4 months ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆17Mar 24, 2026Updated 5 months ago
- Tile map of the Computer Science Department of Università di Pisa☆12Mar 19, 2021Updated 5 years ago
- Implementation of the unbounded depth neural network from the paper Variational Inference for Infinitely Deep Neural Networks☆17Sep 21, 2022Updated 3 years ago
- Split a MOF into its building blocks.☆25Dec 24, 2022Updated 3 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- ☆67Oct 9, 2025Updated 10 months ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆24Nov 8, 2022Updated 3 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆173Sep 29, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- KGML for EMNLP 2021☆10Feb 2, 2022Updated 4 years ago
- PhD Thesis☆16May 26, 2021Updated 5 years ago
- Code associated with the paper "Exploring and Mapping Chemical Space with Molecular Assembly Trees"☆24Sep 29, 2021Updated 4 years ago
- fast functionalisation of molecules☆39Nov 8, 2021Updated 4 years ago
- Code and data for decision making under strategic behavior, NeurIPS 2020 & Management Science 2024.☆29Feb 28, 2024Updated 2 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago