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:
- Synthetic graph generator☆13Nov 7, 2023Updated 2 years ago
- 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 3 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
- Conditional Constrained Graph Variational Autoencoders (CCGVAE) for Molecule Design☆22Sep 20, 2020Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Interpretable Control Exploration and Counterfactual Explanation (ICE) on StyleGAN☆17Jan 5, 2022Updated 4 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Jul 9, 2019Updated 7 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
- Quick and dirty protonation☆18Jun 15, 2022Updated 4 years ago
- Generating global explanations from local ones☆11Nov 11, 2022Updated 3 years ago
- DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations☆32Nov 11, 2025Updated 8 months ago
- (inactive) A web application client for chemical data analysis and visualization.☆18Jun 22, 2022Updated 4 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A pytorch-based implementation of Dirichlet Process Mixture Model (DPMM)☆13Apr 20, 2026Updated 3 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 last year
- Official code repository for the papers "Anti-Symmetric DGN: a stable architecture for Deep Graph Networks" accepted at ICLR 2023; "Non-D…☆15Jan 2, 2025Updated last year
- ☆20Nov 12, 2024Updated last year
- ☆27Feb 10, 2024Updated 2 years ago
- Modern Hopfield Network (MHN) for template relevance prediction☆49Sep 4, 2023Updated 2 years ago
- An assembler for Consolite ISA written in C++.☆15Apr 5, 2016Updated 10 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Implementation of the BNPool layer and code to reproduce the experiments in "Bayesian Nonparametric GNNs for graph pooling and clustering…☆15Apr 1, 2026Updated 3 months ago
- ☆17Mar 24, 2026Updated 3 months ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 5 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆20Dec 4, 2025Updated 7 months ago
- Code for paper "Human-in-the-Loop Assisted de Novo Molecular Design".☆23Mar 17, 2023Updated 3 years ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆23Nov 8, 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
- ☆63Oct 9, 2025Updated 9 months ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆173Sep 29, 2021Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- PhD Thesis☆16May 26, 2021Updated 5 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 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
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago
- Code for "Counterfactual Variable Control for Robust and Interpretable Question Answering"☆14Oct 13, 2020Updated 5 years ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆69Mar 24, 2023Updated 3 years ago