My space on Internet
☆19Jan 7, 2023Updated 3 years ago
Alternatives and similar repositories for portfolio
Users that are interested in portfolio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Platonic Transformers: A Solid Choice For Equivariance☆48Updated this week
- PyTorch implementations of Reinforcement Learning algorithms in less than 200 lines☆10Apr 3, 2020Updated 5 years ago
- Implementation of 'A Neural Compositional Paradigm for Image Captioning' by B. Dai, S.Fidler, D. Lin☆12Mar 15, 2019Updated 7 years ago
- DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement☆41Updated this week
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆81Mar 24, 2023Updated 2 years ago
- compound figure separation tool☆17Jun 13, 2024Updated last year
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆35Feb 10, 2026Updated last month
- Implementation of the paper 'Unsupervised learning of digit recognition using spike-timing-dependent plasticity' by Peter Diehl and Matth…☆14Oct 6, 2019Updated 6 years ago
- ☆22May 5, 2023Updated 2 years ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆24Aug 28, 2025Updated 6 months ago
- A RL framework for Crystal Structure Generation using GRPO☆41Feb 8, 2026Updated last month
- Electron Microscopy Particle Segmentation Dataset☆25Mar 11, 2021Updated 5 years ago
- Unrolls twitter thread and sends it as a DM to anyone that mentions the bot on the thread.☆23Dec 10, 2022Updated 3 years ago
- ☆25Nov 12, 2025Updated 4 months ago
- Introductory lectures in atomistic machine learning☆23Jul 9, 2025Updated 8 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆33Jan 16, 2026Updated 2 months ago
- Algorithms to analyze and predict molecular structures☆24Jul 4, 2025Updated 8 months ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆24Jun 23, 2022Updated 3 years ago
- Livermore SEM Image Tools (LIST)☆20Aug 27, 2020Updated 5 years ago
- ☆27Mar 3, 2024Updated 2 years ago
- A Python package to perform a chemical motif characterization of short-range order.☆25Jul 19, 2025Updated 8 months ago
- Bayesian MPNNs for Molecular Property Prediction☆30Dec 30, 2020Updated 5 years ago
- ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…☆30Sep 2, 2025Updated 6 months ago
- Hacktoberfest 2019☆45Sep 21, 2020Updated 5 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Aug 9, 2022Updated 3 years ago
- Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Mi…☆30Oct 5, 2023Updated 2 years ago
- Predict optical properties of molecules with machine learning.☆35Jul 30, 2025Updated 7 months ago
- Descriptors (isometry invariants) of crystals based on geometry.☆38Nov 17, 2025Updated 4 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆29Jan 30, 2025Updated last year
- Flow matching for accelerated simulation of atomic transport☆63Oct 17, 2025Updated 5 months ago
- Building blocks for scientific data pipelines☆43Mar 16, 2026Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆61Nov 7, 2025Updated 4 months ago
- An experimental repo for experimenting with PyTorch models☆38Mar 24, 2023Updated 2 years ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆44May 10, 2024Updated last year
- OVITO Python modifier to compute the Warren-Cowley parameters.☆40Apr 1, 2025Updated 11 months ago
- Check Your Nearest Vaccination Center And Slots Availability using pincode and district name.☆67Jul 31, 2021Updated 4 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆60Aug 21, 2024Updated last year
- Code for our paper "Barking up the right tree: an approach to search over molecule synthesis DAGs"☆47Apr 30, 2024Updated last year
- Library for Crystal Symmetry in Rust☆70Mar 16, 2026Updated last week